Chembase list of 866358 unique molecular structures

5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H9N5S2

Suppliers	Catalog Number
Enamine	EN300-28744

Database	Data ID
PubChem	713638

M. W.

227.30986

CAS

Similarity

N/A

ID: 254102

12-bromo-13-phenyl-10-thia-1,8-diazatricyclo[7.4.0.0²,⁷]tr...

$$$$ Data

M. F.

C16H13BrN2S

Suppliers	Catalog Number
Enamine	EN300-28745

Database	Data ID
PubChem	12101759

M. W.

345.25682

CAS

Similarity

N/A

ID: 254103

3-cyclopropyl-1-(3-nitrophenyl)urea

$$$$ Data

M. F.

C10H11N3O3

Suppliers	Catalog Number
Enamine	EN300-28746

Database	Data ID
PubChem	16383951

M. W.

221.21264

CAS

Similarity

N/A

ID: 254104

2-methyl-5-(methylsulfanyl)benzoic acid

$$$$ Data

M. F.

C9H10O2S

Suppliers	Catalog Number
Enamine	EN300-28747

Database	Data ID
PubChem	16228929

M. W.

182.2395

CAS

26246-30-0

Similarity

N/A

ID: 254105

methyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C11H8BrFO2S

Suppliers	Catalog Number
Enamine	EN300-28757

Database	Data ID
PubChem	50989105

M. W.

303.1474232

CAS

Similarity

N/A

ID: 254106

(E)-N-{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethylidene}hydroxylamine

$$$$ Data

M. F.

C10H10N4O

Suppliers	Catalog Number
Enamine	EN300-28760

Database	Data ID
PubChem	42918212

M. W.

202.2126

CAS

Similarity

N/A

ID: 254107

(E)-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethylidene}hydroxylamine

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
Enamine	EN300-28762

Database	Data ID
PubChem	5525031

M. W.

201.22454

CAS

Similarity

N/A

ID: 254108

(E)-N-{1-[2-fluoro-6-(1H-imidazol-1-yl)phenyl]ethylidene}hydroxylamine

$$$$ Data

M. F.

C11H10FN3O

Suppliers	Catalog Number
Enamine	EN300-28763

Database	Data ID
PubChem	42941684

M. W.

219.2150032

CAS

Similarity

N/A

ID: 254109

1-(4-bromophenyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C12H13BrO2

Suppliers	Catalog Number
Enamine	EN300-28764

Database	Data ID
PubChem	824992

M. W.

269.13442

CAS

143328-24-9

Similarity

N/A

ID: 254110

1-({4-[2-(aminomethyl)phenyl]phenyl}methyl)pyrrolidin-2-one

$$$$ Data

M. F.

C18H20N2O

Suppliers	Catalog Number
Enamine	EN300-28765

Database	Data ID
PubChem	17490802

M. W.

280.3642

CAS

Similarity

N/A

ID: 254111

5H-pyridazino[4,5-b]indole-4-thiol

$$$$ Data

M. F.

C10H7N3S

Suppliers	Catalog Number
Enamine	EN300-28767

Database	Data ID
PubChem	12472951

M. W.

201.24768

CAS

Similarity

N/A

ID: 254112

3-(oxiran-2-ylmethoxy)-1,2,5-thiadiazole

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-28770

Database	Data ID
PubChem	22995950

M. W.

158.17834

CAS

Similarity

N/A

ID: 254113

2-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]aniline

$$$$ Data

M. F.

C8H7ClF3NS

Suppliers	Catalog Number
Enamine	EN300-28771

Database	Data ID
PubChem	42941685

M. W.

241.6610896

CAS

Similarity

N/A

ID: 254114

1-(difluoromethoxy)-4-isocyanato-2-methoxybenzene

$$$$ Data

M. F.

C9H7F2NO3

Suppliers	Catalog Number
Enamine	EN300-28772

Database	Data ID
PubChem	16228037

M. W.

215.1535864

CAS

Similarity

N/A

ID: 254115

4-isocyanato-2-methoxy-1-methylbenzene

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Enamine	EN300-28773

Database	Data ID
PubChem	16228040

M. W.

163.17326

CAS

61386-73-0

Similarity

N/A

ID: 254116

1,2,3,4-tetrahydroisoquinoline-2-sulfonyl chloride

$$$$ Data

M. F.

C9H10ClNO2S

Suppliers	Catalog Number
ChemBridge	4026551
Enamine	EN300-28774

Database	Data ID
PubChem	16769825

M. W.

231.6992

CAS

195987-27-0

Similarity

N/A

ID: 254117

(1-amino-3-ethylpentan-2-yl)dimethylamine

$$$$ Data

M. F.

C9H22N2

Suppliers	Catalog Number
Enamine	EN300-28775

Database	Data ID
PubChem	42933682

M. W.

158.28438

CAS

Similarity

N/A

ID: 254118

5-chloroquinolin-8-amine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Enamine	EN300-28776

Database	Data ID
PubChem	224860

M. W.

178.61828

CAS

5432-09-7

Similarity

N/A

ID: 254119

1-[4-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H13NO3S

Suppliers	Catalog Number
Enamine	EN300-28778

Database	Data ID
PubChem	16228378

M. W.

251.30152

CAS

Similarity

N/A

ID: 254120

4-(1,3-thiazol-4-ylmethoxy)benzaldehyde

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Enamine	EN300-28781

Database	Data ID
PubChem	820977

M. W.

219.25966

CAS

Similarity

N/A

ID: 254121

5,6-dimethyl-3-sulfanylpyridazine-4-carbonitrile

$$$$ Data

M. F.

C7H7N3S

Suppliers	Catalog Number
Enamine	EN300-28782

Database	Data ID
PubChem	25648977

M. W.

165.21558

CAS

Similarity

N/A

ID: 254122

ethyl 2-{2-[(phenoxycarbonyl)amino]-1,3-thiazol-4-yl}acetate

$$$$ Data

M. F.

C14H14N2O4S

Suppliers	Catalog Number
Enamine	EN300-28783

Database	Data ID
PubChem	4524656

M. W.

306.33696

CAS

Similarity

N/A

ID: 254123

5-amino-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C6H7N5O

Suppliers	Catalog Number
Enamine	EN300-28784

Database	Data ID
PubChem	13483763

M. W.

165.15268

CAS

Similarity

N/A

ID: 254124

3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline

$$$$ Data

M. F.

C11H12N4

Suppliers	Catalog Number
Enamine	EN300-28787

Database	Data ID
PubChem	17541515

M. W.

200.23978

CAS

Similarity

N/A

ID: 254125

2-[2-(diethylamino)ethoxy]benzonitrile

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-28791

Database	Data ID
PubChem	2992842

M. W.

218.29482

CAS

Similarity

N/A

ID: 254126

N-propylpiperidine-4-carboxamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Enamine	EN300-28794

Database	Data ID
PubChem	16228132

M. W.

170.25202

CAS

200267-73-8

Similarity

N/A

ID: 254127

1-(4-aminophenyl)-3-cyclopropylurea

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-28796

Database	Data ID
PubChem	25324133

M. W.

191.22972

CAS

Similarity

N/A

ID: 254128

ethyl 4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carb...

$$$$ Data

M. F.

C9H12N2O2S2

Suppliers	Catalog Number
Enamine	EN300-28797

Database	Data ID
PubChem	698228

M. W.

244.33378

CAS

111698-89-6

Similarity

N/A

ID: 254129

(E)-N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-28798

Database	Data ID
PubChem	42937039

M. W.

215.25112

CAS

Similarity

N/A

ID: 254130

1-(4-nitrophenyl)-3-(propan-2-yl)urea

$$$$ Data

M. F.

C10H13N3O3

Suppliers	Catalog Number
Enamine	EN300-28799

Database	Data ID
PubChem	17499429

M. W.

223.22852

CAS

Similarity

N/A

ID: 254131

ethyl 3,7,8,10-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,8...

$$$$ Data

M. F.

C12H10N4O2

Suppliers	Catalog Number
Enamine	EN300-28800

Database	Data ID
PubChem	17499423

M. W.

242.2334

CAS

Similarity

N/A

ID: 254132

(E)-N-(1-{5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}ethyliden...

$$$$ Data

M. F.

C12H11F3N4O

Suppliers	Catalog Number
Enamine	EN300-28801

Database	Data ID
PubChem	42941775

M. W.

284.2371496

CAS

Similarity

N/A

ID: 254133

1-{5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}ethan-1-one

$$$$ Data

M. F.

C12H10F3N3O

Suppliers	Catalog Number
Enamine	EN300-28802

Database	Data ID
PubChem	17499424

M. W.

269.2225096

CAS

Similarity

N/A

ID: 254134

({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine

$$$$ Data

M. F.

C7H8ClN3S

Suppliers	Catalog Number
Enamine	EN300-28804

Database	Data ID
PubChem	25323893

M. W.

201.67652

CAS

Similarity

N/A

ID: 254135

(E)-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
Enamine	EN300-28806

Database	Data ID
PubChem	42941776

M. W.

153.18174

CAS

Similarity

N/A

ID: 254136

N-(3-cyanophenyl)-2-methylpropanamide

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Enamine	EN300-28807

Database	Data ID
PubChem	16383207

M. W.

188.22578

CAS

Similarity

N/A

ID: 254137

4-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}aniline

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Enamine	EN300-28808

Database	Data ID
PubChem	17499421

M. W.

231.31672

CAS

Similarity

N/A

ID: 254138

8-methylquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C10H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-28809

Database	Data ID
PubChem	14224770

M. W.

241.69402

CAS

120164-05-8

Similarity

N/A

ID: 254139

2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C11H8ClNO3S

Suppliers	Catalog Number
Enamine	EN300-28810

Database	Data ID
PubChem	17499420

M. W.

269.70412

CAS

Similarity

N/A

ID: 254140

(3,4-dimethoxyphenyl)thiourea

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-28811

Database	Data ID
PubChem	5105526

M. W.

212.26878

CAS

Similarity

N/A

ID: 254141

methyl 3-(cyanomethyl)furan-2-carboxylate

$$$$ Data

M. F.

C8H7NO3

Suppliers	Catalog Number
Enamine	EN300-28812

Database	Data ID
PubChem	12432266

M. W.

165.14608

CAS

Similarity

N/A

ID: 254142

2-chloro-1-(8-fluoro-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

$$$$ Data

M. F.

C11H11ClFNO

Suppliers	Catalog Number
Enamine	EN300-28813

Database	Data ID
PubChem	25323896

M. W.

227.6625432

CAS

Similarity

N/A

ID: 254143

1-(4-aminophenyl)-3-(2-methoxyethyl)urea

$$$$ Data

M. F.

C10H15N3O2

Suppliers	Catalog Number
Enamine	EN300-28814

Database	Data ID
PubChem	39869450

M. W.

209.245

CAS

Similarity

N/A

ID: 254144

1-(3-aminophenyl)-3-cyclopropylurea

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-28815

Database	Data ID
PubChem	28818746

M. W.

191.22972

CAS

Similarity

N/A

ID: 254145

ethyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-5-carboxylate

$$$$ Data

M. F.

C6H7NO3S2

Suppliers	Catalog Number
Enamine	EN300-28816

Database	Data ID
PubChem	12361594

M. W.

205.25468

CAS

Similarity

N/A

ID: 254146

1-(ethanesulfonyl)piperidin-4-amine

$$$$ Data

M. F.

C7H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-28817

Database	Data ID
PubChem	16776186

M. W.

192.27914

CAS

Similarity

N/A

ID: 254147

3-amino-2-(furan-2-ylmethyl)propan-1-ol

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
ChemBridge	4040730
Enamine	EN300-28818

Database	Data ID
PubChem	43184648

M. W.

155.19432

CAS

949226-57-7

Similarity

N/A

ID: 254148

3-(pyridin-2-yloxy)phenol

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-28819

Database	Data ID
PubChem	20455777

M. W.

187.19466

CAS

Similarity

N/A

ID: 254149

1-(furan-3-carbonyl)piperidin-4-amine

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Enamine	EN300-28820

Database	Data ID
PubChem	16771508

M. W.

194.23036

CAS

926210-83-5

Similarity

N/A

ID: 254150

5-(chloromethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

$$$$ Data

M. F.

C10H7ClFN3OS

Suppliers	Catalog Number
Enamine	EN300-28821

Database	Data ID
PubChem	25323901

M. W.

271.6984832

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