Chembase list of 866358 unique molecular structures

5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}furan-2-carboxylic acid hydrochlo...

$$$$ Data

M. F.

C10H11ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-30807

Database	Data ID
PubChem	42933724

M. W.

274.72394

CAS

Similarity

N/A

ID: 254902

ethyl 3-bromo-4-(chlorosulfonyl)benzoate

$$$$ Data

M. F.

C9H8BrClO4S

Suppliers	Catalog Number
Enamine	EN300-30809

Database	Data ID
PubChem	42948507

M. W.

327.57942

CAS

Similarity

N/A

ID: 254903

3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide

$$$$ Data

M. F.

C9H14IN3O2

Suppliers	Catalog Number
Enamine	EN300-30812

Database	Data ID
PubChem	11220989

M. W.

323.13083

CAS

Similarity

N/A

ID: 254904

4-phenylaniline hydrochloride

$$$$ Data

M. F.

C12H12ClN

Suppliers	Catalog Number
Enamine	EN300-30815

Database	Data ID
PubChem	5284341

M. W.

205.68338

CAS

2113-61-3

Similarity

N/A

ID: 254905

3-(morpholin-4-yl)-1,2-dihydroisoquinolin-1-one

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Enamine	EN300-30816

Database	Data ID
PubChem	3281033

M. W.

230.26246

CAS

Similarity

N/A

ID: 254906

butane-1-sulfonamide

$$$$ Data

M. F.

C4H11NO2S

Suppliers	Catalog Number
Enamine	EN300-30817

Database	Data ID
PubChem	18460

M. W.

137.20064

CAS

3144-04-5

Similarity

N/A

ID: 254907

methyl 5-amino-1H-indazole-3-carboxylate

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
Enamine	EN300-30818

Database	Data ID
PubChem	28819013

M. W.

191.18666

CAS

660411-95-0

Similarity

N/A

ID: 254908

1-methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide

$$$$ Data

M. F.

C12H13N3O3S

Suppliers	Catalog Number
Enamine	EN300-30819

Database	Data ID
PubChem	25489689

M. W.

279.31492

CAS

Similarity

N/A

ID: 254909

1-benzoyl-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-30821

Database	Data ID
PubChem	43810516

M. W.

240.72918

CAS

Similarity

N/A

ID: 254910

5-carbamoyl-1-methyl-1H-pyrrole-3-sulfonyl chloride

$$$$ Data

M. F.

C6H7ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-30822

Database	Data ID
PubChem	42948514

M. W.

222.64938

CAS

Similarity

N/A

ID: 254911

3-(2-bromoethyl)-5,5-dimethylimidazolidine-2,4-dione

$$$$ Data

M. F.

C7H11BrN2O2

Suppliers	Catalog Number
Enamine	EN300-30824

Database	Data ID
PubChem	28165758

M. W.

235.07844

CAS

Similarity

N/A

ID: 254912

4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C6H6ClNO4S

Suppliers	Catalog Number
Enamine	EN300-30825

Database	Data ID
PubChem	43244313

M. W.

223.63414

CAS

Similarity

N/A

ID: 254913

2-bromo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C11H11BrN2O4

Suppliers	Catalog Number
Enamine	EN300-30827

Database	Data ID
PubChem	16767603

M. W.

315.12004

CAS

Similarity

N/A

ID: 254914

1-(difluoromethoxy)-3-isocyanatobenzene

$$$$ Data

M. F.

C8H5F2NO2

Suppliers	Catalog Number
Enamine	EN300-30828

Database	Data ID
PubChem	16228034

M. W.

185.1276064

CAS

Similarity

N/A

ID: 254915

1-ethoxy-4-isocyanato-2-methoxybenzene

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-30829

Database	Data ID
PubChem	16228038

M. W.

193.19924

CAS

Similarity

N/A

ID: 254916

5-amino-3-ethoxy-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C6H8N4O

Suppliers	Catalog Number
Enamine	EN300-30831

Database	Data ID
PubChem	14093703

M. W.

152.15392

CAS

Similarity

N/A

ID: 254917

1,3-dimethyl-4-propyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C18H21N3O3S

Suppliers	Catalog Number
Enamine	EN300-30832

Database	Data ID
PubChem	25489775

M. W.

359.44264

CAS

Similarity

N/A

ID: 254918

2,2,2-trifluoroethyl 4-nitrobenzene-1-sulfonate

$$$$ Data

M. F.

C8H6F3NO5S

Suppliers	Catalog Number
Enamine	EN300-30833

Database	Data ID
PubChem	25489771

M. W.

285.1971496

CAS

Similarity

N/A

ID: 254919

12-oxa-2,3,5,7-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,...

$$$$ Data

M. F.

C8H6N4O2

Suppliers	Catalog Number
Enamine	EN300-30835

Database	Data ID
PubChem	25489752

M. W.

190.15884

CAS

Similarity

N/A

ID: 254920

1H,2H,3H,4H-cyclopenta[b]indole-5-carboxylic acid

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-30836

Database	Data ID
PubChem	12132974

M. W.

201.22124

CAS

Similarity

N/A

ID: 254921

6-bromo-2-methylpyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Alfa Aesar	H33857
Enamine	EN300-30838

Database	Data ID
PubChem	15980041

M. W.

212.04664

CAS

916256-65-0

Similarity

N/A

ID: 254922

11-(chloromethyl)-12-formyl-13-oxo-1,8-diazatricyclo[7.4.0.0²,^7<...

$$$$ Data

M. F.

C14H8ClN3O2

Suppliers	Catalog Number
Enamine	EN300-30839

Database	Data ID
PubChem	2440066

M. W.

285.68522

CAS

Similarity

N/A

ID: 254923

6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C8H8N2O2

Suppliers	Catalog Number
Enamine	EN300-30842
Bide Pharmatech	BD6347
A&J Pharmtech	AJA-O3311

Database	Data ID
PubChem	113347

M. W.

164.16132

CAS

27074-03-9

Similarity

N/A

ID: 254924

N-phenylcyclopropanecarboxamide

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Enamine	EN300-30843

Database	Data ID
PubChem	528617

M. W.

161.20044

CAS

Similarity

N/A

ID: 254925

2-(dimethylamino)-2-(thiophen-2-yl)acetonitrile

$$$$ Data

M. F.

C8H10N2S

Suppliers	Catalog Number
Enamine	EN300-30845

Database	Data ID
PubChem	10702333

M. W.

166.2434

CAS

Similarity

N/A

ID: 254926

{2-[(propan-2-yloxy)methyl]phenyl}methanamine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Enamine	EN300-30849

Database	Data ID
PubChem	43810517

M. W.

215.71972

CAS

Similarity

N/A

ID: 254927

2-(2-amino-1,3-thiazol-4-yl)acetohydrazide

$$$$ Data

M. F.

C5H8N4OS

Suppliers	Catalog Number
Enamine	EN300-30850

Database	Data ID
PubChem	1201419

M. W.

172.20822

CAS

Similarity

N/A

ID: 254928

methyl 2-(chlorosulfonyl)acetate

$$$$ Data

M. F.

C3H5ClO4S

Suppliers	Catalog Number
Enamine	EN300-30852

Database	Data ID
PubChem	11435213

M. W.

172.5874

CAS

56146-83-9

Similarity

N/A

ID: 254929

1-(4-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethan-1-one

$$$$ Data

M. F.

C10H7FN2OS2

Suppliers	Catalog Number
Enamine	EN300-30854

Database	Data ID
PubChem	28819015

M. W.

254.3037832

CAS

Similarity

N/A

ID: 254930

1-(4-chlorophenyl)-2-(phenylsulfanyl)ethan-1-one

$$$$ Data

M. F.

C14H11ClOS

Suppliers	Catalog Number
Enamine	EN300-30855

Database	Data ID
PubChem	3365601

M. W.

262.75454

CAS

Similarity

N/A

ID: 254931

1-(4-fluorophenyl)-2-(phenylsulfanyl)ethan-1-one

$$$$ Data

M. F.

C14H11FOS

Suppliers	Catalog Number
Enamine	EN300-30857

Database	Data ID
PubChem	2368004

M. W.

246.2999432

CAS

Similarity

N/A

ID: 254932

1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one

$$$$ Data

M. F.

C5H6N2OS2

Suppliers	Catalog Number
Enamine	EN300-30858

Database	Data ID
PubChem	28819016

M. W.

174.24394

CAS

Similarity

N/A

ID: 254933

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine

$$$$ Data

M. F.

C4H8N4

Suppliers	Catalog Number
Enamine	EN300-30859
Bide Pharmatech	BD229931
A&J Pharmtech	AJA-O20875

Database	Data ID
PubChem	21744036

M. W.

112.13312

CAS

145942-99-0

Similarity

N/A

ID: 254934

2-(chloromethyl)-3-formylindolizine-1-carbonitrile

$$$$ Data

M. F.

C11H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-30860

Database	Data ID
PubChem	28819017

M. W.

218.63908

CAS

Similarity

N/A

ID: 254935

N-(pyridin-2-ylmethyl)aminosulfonamide

$$$$ Data

M. F.

C6H9N3O2S

Suppliers	Catalog Number
Enamine	EN300-30863

Database	Data ID
PubChem	21041237

M. W.

187.21956

CAS

Similarity

N/A

ID: 254936

2-(N-methyl-1-thiophen-2-ylformamido)acetic acid

$$$$ Data

M. F.

C8H9NO3S

Suppliers	Catalog Number
Enamine	EN300-30864

Database	Data ID
PubChem	6422196

M. W.

199.22696

CAS

Similarity

N/A

ID: 254937

N-(1-benzylpiperidin-4-yl)-1H-imidazole-1-carboxamide

$$$$ Data

M. F.

C16H20N4O

Suppliers	Catalog Number
Enamine	EN300-30867

Database	Data ID
PubChem	15676957

M. W.

284.3562

CAS

Similarity

N/A

ID: 254938

N-(propan-2-yl)cyclopropanamine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
Enamine	EN300-30868

Database	Data ID
PubChem	43810518

M. W.

135.63506

CAS

Similarity

N/A

ID: 254939

13-chloro-11-(chloromethyl)-1,8-diazatricyclo[7.4.0.0²,⁷]t...

$$$$ Data

M. F.

C13H7Cl2N3

Suppliers	Catalog Number
Enamine	EN300-30871

Database	Data ID
PubChem	28819023

M. W.

276.12078

CAS

Similarity

N/A

ID: 254940

2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetonitrile

$$$$ Data

M. F.

C9H7N3S

Suppliers	Catalog Number
Enamine	EN300-30872

Database	Data ID
PubChem	1811342

M. W.

189.23698

CAS

Similarity

N/A

ID: 254941

ethyl (2E)-2-cyano-3-(thiophen-2-yl)but-2-enoate

$$$$ Data

M. F.

C11H11NO2S

Suppliers	Catalog Number
Enamine	EN300-30875

Database	Data ID
PubChem	28819024

M. W.

221.27554

CAS

Similarity

N/A

ID: 254942

1-(4-chlorophenyl)-2-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]ethan-1-one

$$$$ Data

M. F.

C12H10ClNOS2

Suppliers	Catalog Number
Enamine	EN300-30876

Database	Data ID
PubChem	28819025

M. W.

283.7969

CAS

Similarity

N/A

ID: 254943

2-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one

$$$$ Data

M. F.

C10H9NOS3

Suppliers	Catalog Number
Enamine	EN300-30877

Database	Data ID
PubChem	28819027

M. W.

255.37956

CAS

Similarity

N/A

ID: 254944

1-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one

$$$$ Data

M. F.

C7H9NOS2

Suppliers	Catalog Number
Enamine	EN300-30879

Database	Data ID
PubChem	28819029

M. W.

187.28246

CAS

Similarity

N/A

ID: 254945

1-benzyl-4-phenyl-1H-imidazol-5-amine

$$$$ Data

M. F.

C16H15N3

Suppliers	Catalog Number
Enamine	EN300-30881

Database	Data ID
PubChem	42948572

M. W.

249.3104

CAS

Similarity

N/A

ID: 254946

5-cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Enamine	EN300-30882

Database	Data ID
PubChem	22267908

M. W.

228.24658

CAS

Similarity

N/A

ID: 254947

2-amino-6-methylbenzamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-30883

Database	Data ID
PubChem	16782469

M. W.

150.1778

CAS

Similarity

N/A

ID: 254948

ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C12H13N3O4

Suppliers	Catalog Number
Enamine	EN300-30886

Database	Data ID
PubChem	28819031

M. W.

263.24932

CAS

Similarity

N/A

ID: 254949

1-(3-methylbenzoyl)-1,4-diazepane

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-30888

Database	Data ID
PubChem	16774567

M. W.

218.29482

CAS

Similarity

N/A

ID: 254950

6,12-diethyl 5,11-dimethyl-4,10-dioxatricyclo[7.3.0.0³,⁷]d...

$$$$ Data

M. F.

C18H18O6

Suppliers	Catalog Number
Enamine	EN300-30891

Database	Data ID
PubChem	236769

M. W.

330.33192

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