Chembase list of 866358 unique molecular structures

2-(1,3-benzothiazol-2-yl)-4-chloroaniline

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
Enamine	EN300-10494

Database	Data ID
PubChem	961040

M. W.

260.74196

CAS

Similarity

N/A

ID: 236952

6-chloroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-104940
A&J Pharmtech	AJA-O20642

Database	Data ID
PubChem	12324259

M. W.

207.61314

CAS

59394-30-8

Similarity

N/A

ID: 236953

6,8-dimethylquinoline-2-carboxylic acid

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-104941

Database	Data ID
PubChem	71695319

M. W.

201.22124

CAS

Similarity

N/A

ID: 236954

8-methylquinoline-2-carboxylic acid

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-104942

Database	Data ID
PubChem	12395203

M. W.

187.19466

CAS

Similarity

N/A

ID: 236955

8-chloroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H6ClNO2

Suppliers	Catalog Number
ChemBridge	4003794
Enamine	EN300-104943

Database	Data ID
PubChem	28063307

M. W.

207.61314

CAS

915922-73-5

Similarity

N/A

ID: 236956

5,8-dimethylquinoline-2-carboxylic acid

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-104944

Database	Data ID
PubChem	33746403

M. W.

201.22124

CAS

Similarity

N/A

ID: 236957

8-chloroquinoline-2-carboxamide

$$$$ Data

M. F.

C10H7ClN2O

Suppliers	Catalog Number
ChemBridge	72294446
Enamine	EN300-104945

Database	Data ID
PubChem	28685307

M. W.

206.62838

CAS

Similarity

N/A

ID: 236958

6-nitroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H6N2O4

Suppliers	Catalog Number
Enamine	EN300-104946

Database	Data ID
PubChem	12324258

M. W.

218.16564

CAS

Similarity

N/A

ID: 236959

7-ethyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

$$$$ Data

M. F.

C6H7N5O

Suppliers	Catalog Number
Enamine	EN300-104947

Database	Data ID
PubChem	71755820

M. W.

165.15268

CAS

Similarity

N/A

ID: 236960

7-propyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

$$$$ Data

M. F.

C7H9N5O

Suppliers	Catalog Number
Enamine	EN300-104948

Database	Data ID
PubChem	71755821

M. W.

179.17926

CAS

Similarity

N/A

ID: 236961

4-(2-methoxyethyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Enamine	EN300-10495

Database	Data ID
PubChem	2213668

M. W.

235.30542

CAS

Similarity

N/A

ID: 236962

1-chloro-3-ethylbenzene

$$$$ Data

M. F.

C8H9Cl

Suppliers	Catalog Number
Enamine	EN300-104955

Database	Data ID
PubChem	136426

M. W.

140.61006

CAS

Similarity

N/A

ID: 236963

4H,5H,6H,7H-thieno[3,2-c]pyridin-7-ol

$$$$ Data

M. F.

C7H9NOS

Suppliers	Catalog Number
Enamine	EN300-104956

Database	Data ID
PubChem	12337015

M. W.

155.21746

CAS

Similarity

N/A

ID: 236964

4H,5H,6H,7H-thieno[2,3-c]pyridin-4-ol

$$$$ Data

M. F.

C7H9NOS

Suppliers	Catalog Number
Enamine	EN300-104957

Database	Data ID
PubChem	12337023

M. W.

155.21746

CAS

Similarity

N/A

ID: 236965

4H,5H,7H-thieno[2,3-c]pyran-7-ylmethanamine

$$$$ Data

M. F.

C8H11NOS

Suppliers	Catalog Number
Enamine	EN300-104958

Database	Data ID
PubChem	68334727

M. W.

169.24404

CAS

Similarity

N/A

ID: 236966

N-benzyl-2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

$$$$ Data

M. F.

C18H19ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-10496

Database	Data ID
PubChem	3488946

M. W.

362.87366

CAS

Similarity

N/A

ID: 236967

3-hydrazinylidenemorpholine

$$$$ Data

M. F.

C4H9N3O

Suppliers	Catalog Number
Enamine	EN300-104960

Database	Data ID
PubChem	55288244

M. W.

115.13376

CAS

Similarity

N/A

ID: 236968

2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-3-one

$$$$ Data

M. F.

C5H7N3O2

Suppliers	Catalog Number
Enamine	EN300-104961

Database	Data ID
PubChem	15105330

M. W.

141.12798

CAS

Similarity

N/A

ID: 236969

2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholine-3-thione

$$$$ Data

M. F.

C5H7N3OS

Suppliers	Catalog Number
Enamine	EN300-104962

Database	Data ID
PubChem	20591798

M. W.

157.19358

CAS

Similarity

N/A

ID: 236970

2-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}acetic acid

$$$$ Data

M. F.

C7H9N3O4

Suppliers	Catalog Number
Enamine	EN300-104965

Database	Data ID
PubChem	71755822

M. W.

199.16406

CAS

Similarity

N/A

ID: 236971

2-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}propanoic acid

$$$$ Data

M. F.

C8H11N3O4

Suppliers	Catalog Number
Enamine	EN300-104968

Database	Data ID
PubChem	71755823

M. W.

213.19064

CAS

Similarity

N/A

ID: 236972

2-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}butanoic acid

$$$$ Data

M. F.

C9H13N3O4

Suppliers	Catalog Number
Enamine	EN300-104969

Database	Data ID
PubChem	71755824

M. W.

227.21722

CAS

Similarity

N/A

ID: 236973

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)-N-(prop-2-en-1-yl)acetamide

$$$$ Data

M. F.

C14H13ClN2OS

Suppliers	Catalog Number
Enamine	EN300-10497

Database	Data ID
PubChem	3822450

M. W.

292.78382

CAS

Similarity

N/A

ID: 236974

3-methyl-2-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}butanoic a...

$$$$ Data

M. F.

C10H15N3O4

Suppliers	Catalog Number
Enamine	EN300-104970

Database	Data ID
PubChem	71755825

M. W.

241.2438

CAS

Similarity

N/A

ID: 236975

3-methyl-2-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}pentanoic ...

$$$$ Data

M. F.

C11H17N3O4

Suppliers	Catalog Number
Enamine	EN300-104973

Database	Data ID
PubChem	71755826

M. W.

255.27038

CAS

Similarity

N/A

ID: 236976

3-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}butanoic acid

$$$$ Data

M. F.

C9H13N3O4

Suppliers	Catalog Number
Enamine	EN300-104974

Database	Data ID
PubChem	71755827

M. W.

227.21722

CAS

Similarity

N/A

ID: 236977

3-{3-oxo-2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-2-yl}propanoic acid

$$$$ Data

M. F.

C8H11N3O4

Suppliers	Catalog Number
Enamine	EN300-104975

Database	Data ID
PubChem	71755828

M. W.

213.19064

CAS

Similarity

N/A

ID: 236978

methyl 2-amino-2-cyclohexylacetate hydrochloride

$$$$ Data

M. F.

C9H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-104976

Database	Data ID
PubChem	22259438

M. W.

207.69772

CAS

Similarity

N/A

ID: 236979

4-(2-fluorophenyl)but-3-en-2-one

$$$$ Data

M. F.

C10H9FO

Suppliers	Catalog Number
Enamine	EN300-104977

Database	Data ID
PubChem	5463007

M. W.

164.1762632

CAS

Similarity

N/A

ID: 236980

4-methoxy-2-sulfanylphenol

$$$$ Data

M. F.

C7H8O2S

Suppliers	Catalog Number
Enamine	EN300-104979

Database	Data ID
PubChem	12787757

M. W.

156.20222

CAS

Similarity

N/A

ID: 236981

2-hydroxy-5-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H7ClO4S

Suppliers	Catalog Number
Enamine	EN300-104980

Database	Data ID
PubChem	55279923

M. W.

222.64608

CAS

Similarity

N/A

ID: 236982

1-[(2-hydroxy-5-methoxyphenyl)sulfanyl]-N,N-dimethylformamide

$$$$ Data

M. F.

C10H13NO3S

Suppliers	Catalog Number
Enamine	EN300-104981

Database	Data ID
PubChem	71755829

M. W.

227.28012

CAS

Similarity

N/A

ID: 236983

2,4-dichloro-5-methanesulfonylbenzoic acid

$$$$ Data

M. F.

C8H6Cl2O4S

Suppliers	Catalog Number
Enamine	EN300-104988

Database	Data ID
PubChem	22101365

M. W.

269.10184

CAS

Similarity

N/A

ID: 236984

bis(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H15N3S

Suppliers	Catalog Number
Enamine	EN300-10499

Database	Data ID
PubChem	3726938

M. W.

281.3754

CAS

Similarity

N/A

ID: 236985

3-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7FN2O2

Suppliers	Catalog Number
ChemBridge	4012181
Enamine	EN300-104990

Database	Data ID
PubChem	12189275

M. W.

206.1731832

CAS

879996-73-3

Similarity

N/A

ID: 236986

2-[(4-phenylphenyl)carbamoyl]benzoic acid

$$$$ Data

M. F.

C20H15NO3

Suppliers	Catalog Number
Enamine	EN300-104991

Database	Data ID
PubChem	2826191

M. W.

317.338

CAS

Similarity

N/A

ID: 236987

N-(2-aminophenyl)-1H-indazole-3-carboxamide

$$$$ Data

M. F.

C14H12N4O

Suppliers	Catalog Number
Enamine	EN300-104992

Database	Data ID
PubChem	45086878

M. W.

252.27128

CAS

Similarity

N/A

ID: 236988

6-chloro-N-ethylpyridazine-3-carboxamide

$$$$ Data

M. F.

C7H8ClN3O

Suppliers	Catalog Number
Enamine	EN300-104993

Database	Data ID
PubChem	60859181

M. W.

185.61092

CAS

Similarity

N/A

ID: 236989

3-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H7FN2O

Suppliers	Catalog Number
Enamine	EN300-104994

Database	Data ID
PubChem	12189263

M. W.

190.1737832

CAS

Similarity

N/A

ID: 236990

3-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-104995

Database	Data ID
PubChem	23005666

M. W.

222.62778

CAS

Similarity

N/A

ID: 236991

3-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-104996

Database	Data ID
PubChem	23005667

M. W.

222.62778

CAS

Similarity

N/A

ID: 236992

3-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-104997

Database	Data ID
PubChem	2757847

M. W.

206.62838

CAS

Similarity

N/A

ID: 236993

3-(dimethylamino)-4-methylbenzene-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C9H13Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-104998

Database	Data ID
PubChem	71755830

M. W.

270.17602

CAS

Similarity

N/A

ID: 236994

(1R)-1-(2-bromophenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C8H11BrClN

Suppliers	Catalog Number
Enamine	EN300-104999

Database	Data ID
PubChem	71755832

M. W.

236.53664

CAS

Similarity

N/A

ID: 236995

tert-butyl 2,3-dihydro-1H-indole-2-carboxylate hydrochloride

$$$$ Data

M. F.

C13H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-105000

Database	Data ID
PubChem	71755833

M. W.

255.74052

CAS

Similarity

N/A

ID: 236996

(1S)-1-(2-bromophenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C8H11BrClN

Suppliers	Catalog Number
Enamine	EN300-105001

Database	Data ID
PubChem	71755834

M. W.

236.53664

CAS

Similarity

N/A

ID: 236997

2-(2,3-dihydro-1H-indol-1-yl)ethanimidamide dihydrochloride

$$$$ Data

M. F.

C10H15Cl2N3

Suppliers	Catalog Number
Enamine	EN300-105002

Database	Data ID
PubChem	71755835

M. W.

248.1522

CAS

Similarity

N/A

ID: 236998

1-cyclopropyl-2-hydroxyethan-1-one

$$$$ Data

M. F.

C5H8O2

Suppliers	Catalog Number
Enamine	EN300-105003

Database	Data ID
PubChem	20361677

M. W.

100.11582

CAS

Similarity

N/A

ID: 236999

1-trifluoromethanesulfonylpiperidin-4-amine

$$$$ Data

M. F.

C6H11F3N2O2S

Suppliers	Catalog Number
Enamine	EN300-105004

Database	Data ID
PubChem	43556400

M. W.

232.2239496

CAS

Similarity

N/A

ID: 237000

methyl 3-fluoroadamantane-1-carboxylate

$$$$ Data

M. F.

C12H17FO2

Suppliers	Catalog Number
Enamine	EN300-105005

Database	Data ID
PubChem	10262600

M. W.

212.2605832

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