Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H6ClNOS

Suppliers	Catalog Number
Life Chemicals	F1910-0005

Database	Data ID
PubChem	2049862

M. W.

199.65734

CAS

3507-27-5

Similarity

N/A

ID: 113802

2-chloro-4-ethoxy-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNOS

Suppliers	Catalog Number
Life Chemicals	F1910-0006

Database	Data ID
PubChem	2049863

M. W.

213.68392

CAS

890091-95-9

Similarity

N/A

ID: 113803

2-chloro-6-ethyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0011

Database	Data ID
PubChem	2049867

M. W.

197.68452

CAS

890091-97-1

Similarity

N/A

ID: 113804

2-chloro-6-(propan-2-yl)-1,3-benzothiazole

$$$$ Data

M. F.

C10H10ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0012

Database	Data ID
PubChem	2049868

M. W.

211.7111

CAS

856171-16-9

Similarity

N/A

ID: 113805

6-butyl-2-chloro-1,3-benzothiazole

$$$$ Data

M. F.

C11H12ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0013

Database	Data ID
PubChem	2049869

M. W.

225.73768

CAS

156246-16-1

Similarity

N/A

ID: 113806

2-chloro-6-ethoxy-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNOS

Suppliers	Catalog Number
Life Chemicals	F1910-0015

Database	Data ID
PubChem	350015

M. W.

213.68392

CAS

79071-17-3

Similarity

N/A

ID: 113807

2-chloro-6-fluoro-1,3-benzothiazole

$$$$ Data

M. F.

C7H3ClFNS

Suppliers	Catalog Number
Alfa Aesar	H32383
Life Chemicals	F1910-0016
Bide Pharmatech	BD20651

Database	Data ID
PubChem	2049870

M. W.

187.6218232

CAS

399-74-6

Similarity

N/A

ID: 113808

2,4,5-trichloro-1,3-benzothiazole

$$$$ Data

M. F.

C7H2Cl3NS

Suppliers	Catalog Number
Life Chemicals	F1910-0019

Database	Data ID
PubChem	2049872

M. W.

238.52148

CAS

898747-87-0

Similarity

N/A

ID: 113809

2,4,6-trichloro-1,3-benzothiazole

$$$$ Data

M. F.

C7H2Cl3NS

Suppliers	Catalog Number
Life Chemicals	F1910-0020

Database	Data ID
PubChem	1810397

M. W.

238.52148

CAS

25745-12-4

Similarity

N/A

ID: 113810

2,4,7-trichloro-1,3-benzothiazole

$$$$ Data

M. F.

C7H2Cl3NS

Suppliers	Catalog Number
Life Chemicals	F1910-0021

Database	Data ID
PubChem	2049873

M. W.

238.52148

CAS

898747-91-6

Similarity

N/A

ID: 113811

2,5-dichloro-4-methyl-1,3-benzothiazole

$$$$ Data

M. F.

C8H5Cl2NS

Suppliers	Catalog Number
Life Chemicals	F1910-0022

Database	Data ID
PubChem	2049874

M. W.

218.103

CAS

887204-62-8

Similarity

N/A

ID: 113812

2,6-dichloro-4-methyl-1,3-benzothiazole

$$$$ Data

M. F.

C8H5Cl2NS

Suppliers	Catalog Number
Life Chemicals	F1910-0023

Database	Data ID
PubChem	2049875

M. W.

218.103

CAS

81561-05-9

Similarity

N/A

ID: 113813

2,7-dichloro-4-methyl-1,3-benzothiazole

$$$$ Data

M. F.

C8H5Cl2NS

Suppliers	Catalog Number
Life Chemicals	F1910-0024

Database	Data ID
PubChem	2049876

M. W.

218.103

CAS

80945-85-3

Similarity

N/A

ID: 113814

2-chloro-4,5-dimethyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0025

Database	Data ID
PubChem	2049877

M. W.

197.68452

CAS

252681-54-2

Similarity

N/A

ID: 113815

2-chloro-4,6-dimethyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0026

Database	Data ID
PubChem	2049878

M. W.

197.68452

CAS

80689-35-6

Similarity

N/A

ID: 113816

2-chloro-4,7-dimethyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0027

Database	Data ID
PubChem	2049879

M. W.

197.68452

CAS

80945-84-2

Similarity

N/A

ID: 113817

2-chloro-5,7-dimethyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNS

Suppliers	Catalog Number
Life Chemicals	F1910-0028

Database	Data ID
PubChem	2049880

M. W.

197.68452

CAS

791594-81-5

Similarity

N/A

ID: 113818

2-chloro-4-methoxy-7-methyl-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNOS

Suppliers	Catalog Number
Life Chemicals	F1910-0029

Database	Data ID
PubChem	2049881

M. W.

213.68392

CAS

108773-00-8

Similarity

N/A

ID: 113819

2-chloro-4,7-dimethoxy-1,3-benzothiazole

$$$$ Data

M. F.

C9H8ClNO2S

Suppliers	Catalog Number
Life Chemicals	F1910-0031

Database	Data ID
PubChem	2049882

M. W.

229.68332

CAS

890091-99-3

Similarity

N/A

ID: 113820

11-chloro-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0³,⁷]dode...

$$$$ Data

M. F.

C8H4ClNO2S

Suppliers	Catalog Number
Life Chemicals	F1910-0034

Database	Data ID
PubChem	2049884

M. W.

213.64086

CAS

Similarity

N/A

ID: 113821

5-chloro-10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0³,⁷]tride...

$$$$ Data

M. F.

C9H6ClNO2S

Suppliers	Catalog Number
Life Chemicals	F1910-0035

Database	Data ID
PubChem	2771063

M. W.

227.66744

CAS

Similarity

N/A

ID: 113822

4-ethyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0002

Database	Data ID
PubChem	2049885

M. W.

178.2541

CAS

139331-68-3

Similarity

N/A

ID: 113823

4-fluoro-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C7H5FN2S

Suppliers	Catalog Number
ChemBridge	4012611
Life Chemicals	F1911-0007
Bide Pharmatech	BD70169

Database	Data ID
PubChem	2049887

M. W.

168.1914032

CAS

20358-06-9

Similarity

N/A

ID: 113824

4-bromo-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C7H5BrN2S

Suppliers	Catalog Number
Life Chemicals	F1911-0009

Database	Data ID
PubChem	2049888

M. W.

229.097

CAS

20358-02-5

Similarity

N/A

ID: 113825

6-methyl-1,3-benzothiazol-2-amine

$$$$ Data More

M. F.

C8H8N2S

Suppliers	Catalog Number
Sigma Aldrich	288373
Alfa Aesar	B23422
Life Chemicals	F1911-0010

Database	Data ID
PubChem	17335

M. W.

164.22752

CAS

2536-91-6

Similarity

N/A

ID: 113826

6-ethyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
ChemBridge	4031216
Life Chemicals	F1911-0011
Enamine	EN300-06395

Database	Data ID
PubChem	773093

M. W.

178.2541

CAS

21224-16-8

Similarity

N/A

ID: 113827

6-(propan-2-yl)-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C10H12N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0012

Database	Data ID
PubChem	600983

M. W.

192.28068

CAS

32895-14-0

Similarity

N/A

ID: 113828

6-butyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C11H14N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0013
InterBioScreen	BB_SC-8289
Enamine	EN300-02492

Database	Data ID
PubChem	1589210

M. W.

206.30726

CAS

Similarity

N/A

ID: 113829

4,6-dichloro-1,3-benzothiazol-2-amine

$$$$ Data More

M. F.

C7H4Cl2N2S

Suppliers	Catalog Number
ChemBridge	4031963
Life Chemicals	F1911-0020
Bide Pharmatech	BD18758

Database	Data ID
PubChem	112722

M. W.

219.09106

CAS

16582-59-5

Similarity

N/A

ID: 113830

4,7-dichloro-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C7H4Cl2N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0021

Database	Data ID
PubChem	2049891

M. W.

219.09106

CAS

1849-70-3

Similarity

N/A

ID: 113831

5-chloro-4-methyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C8H7ClN2S

Suppliers	Catalog Number
ChemBridge	4012614
Life Chemicals	F1911-0022

Database	Data ID
PubChem	1180481

M. W.

198.67258

CAS

65373-18-4

Similarity

N/A

ID: 113832

7-chloro-4-methyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C8H7ClN2S

Suppliers	Catalog Number
Life Chemicals	F1911-0024

Database	Data ID
PubChem	2049893

M. W.

198.67258

CAS

78584-09-5

Similarity

N/A

ID: 113833

4,5-dimethyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0025

Database	Data ID
PubChem	667586

M. W.

178.2541

CAS

79050-49-0

Similarity

N/A

ID: 113834

5,7-dimethyl-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
Life Chemicals	F1911-0028

Database	Data ID
PubChem	2049896

M. W.

178.2541

CAS

73351-87-8

Similarity

N/A

ID: 113835

4,7-dimethoxy-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C9H10N2O2S

Suppliers	Catalog Number
Life Chemicals	F1911-0031

Database	Data ID
PubChem	2049898

M. W.

210.2529

CAS

67617-99-6

Similarity

N/A

ID: 113836

4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),...

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Life Chemicals	F1911-0034

Database	Data ID
PubChem	2049900

M. W.

194.21044

CAS

50850-94-7

Similarity

N/A

ID: 113837

10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0³,⁷]trideca-1(9),2...

$$$$ Data

M. F.

C9H8N2O2S

Suppliers	Catalog Number
Life Chemicals	F1911-0035
Enamine	EN300-12446

Database	Data ID
PubChem	771615

M. W.

208.23702

CAS

Similarity

N/A

ID: 113838

2-(4-bromophenyl)-1,3-thiazolidine

$$$$ Data

M. F.

C9H10BrNS

Suppliers	Catalog Number
Life Chemicals	F1912-0001

Database	Data ID
PubChem	2771064

M. W.

244.1514

CAS

67086-81-1

Similarity

N/A

ID: 113839

2-(4-nitrophenyl)-1,3-thiazolidine

$$$$ Data

M. F.

C9H10N2O2S

Suppliers	Catalog Number
Life Chemicals	F1912-0005
Enamine	EN300-87159

Database	Data ID
PubChem	2771066

M. W.

210.2529

CAS

Similarity

N/A

ID: 113840

2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine

$$$$ Data

M. F.

C10H12BrNOS

Suppliers	Catalog Number
Life Chemicals	F1912-0007

Database	Data ID
PubChem	2771067

M. W.

274.17738

CAS

Similarity

N/A

ID: 113841

2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine

$$$$ Data

M. F.

C10H12BrNOS

Suppliers	Catalog Number
Life Chemicals	F1912-0008

Database	Data ID
PubChem	2771068

M. W.

274.17738

CAS

Similarity

N/A

ID: 113842

3-(2-phenyl-1,3-thiazol-4-yl)aniline

$$$$ Data

M. F.

C15H12N2S

Suppliers	Catalog Number
Life Chemicals	F1912-0012
A&J Pharmtech	AJA-O11788

Database	Data ID
PubChem	737901

M. W.

252.33418

CAS

134812-32-1

Similarity

N/A

ID: 113843

4-(2-phenyl-1,3-thiazol-4-yl)aniline

$$$$ Data

M. F.

C15H12N2S

Suppliers	Catalog Number
Life Chemicals	F1912-0013

Database	Data ID
PubChem	2049903

M. W.

252.33418

CAS

25021-48-1

Similarity

N/A

ID: 113844

2-phenylimidazo[1,2-a]pyridin-3-amine

$$$$ Data More

M. F.

C13H11N3

Suppliers	Catalog Number
ChemBridge	4031280
Life Chemicals	F1912-0017
Chemik	CHH04107

Database	Data ID
PubChem	199307

M. W.

209.24654

CAS

3999-29-9

Similarity

N/A

ID: 113845

7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine

$$$$ Data

M. F.

C14H13N3

Suppliers	Catalog Number
Life Chemicals	F1912-0018
Enamine	EN300-12042

Database	Data ID
PubChem	2771070

M. W.

223.27312

CAS

89185-45-5

Similarity

N/A

ID: 113846

1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Life Chemicals	F1912-0020

Database	Data ID
PubChem	2179721

M. W.

218.2087

CAS

Similarity

N/A

ID: 113847

1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Life Chemicals	F1912-0021

Database	Data ID
PubChem	2275401

M. W.

218.2087

CAS

Similarity

N/A

ID: 113848

1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Life Chemicals	F1912-0022

Database	Data ID
PubChem	2244546

M. W.

218.2087

CAS

16348-04-2

Similarity

N/A

ID: 113849

1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Life Chemicals	F1912-0023

Database	Data ID
PubChem	1380841

M. W.

234.2081

CAS

16348-07-5

Similarity

N/A

ID: 113850

1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Life Chemicals	F1912-0024

Database	Data ID
PubChem	2049905

M. W.

248.23468

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified