Chembase list of 866358 unique molecular structures

ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-126459

Database	Data ID
PubChem	44784984

M. W.

172.20492

CAS

Similarity

N/A

ID: 247202

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-2-amine

$$$$ Data

M. F.

C14H22ClN3

Suppliers	Catalog Number
Enamine	EN300-126461

Database	Data ID
PubChem	61265080

M. W.

267.79758

CAS

Similarity

N/A

ID: 247203

1-N-(4-fluorophenyl)benzene-1,2-diamine

$$$$ Data

M. F.

C12H11FN2

Suppliers	Catalog Number
Enamine	EN300-126462

Database	Data ID
PubChem	14819973

M. W.

202.2275432

CAS

Similarity

N/A

ID: 247204

3-[2-(difluoromethoxy)phenyl]-3-oxopropanenitrile

$$$$ Data

M. F.

C10H7F2NO2

Suppliers	Catalog Number
Enamine	EN300-126463

Database	Data ID
PubChem	24691440

M. W.

211.1648864

CAS

Similarity

N/A

ID: 247205

3-chloro-4,5,6-trimethylpyridazine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Enamine	EN300-126465

Database	Data ID
PubChem	65646311

M. W.

156.61276

CAS

Similarity

N/A

ID: 247206

2-(3-chlorophenyl)-2H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C9H6ClN3O2

Suppliers	Catalog Number
Enamine	EN300-126466

Database	Data ID
PubChem	28775001

M. W.

223.61584

CAS

Similarity

N/A

ID: 247207

(1-methylcycloheptyl)methanamine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-126467

Database	Data ID
PubChem	55285912

M. W.

141.25386

CAS

Similarity

N/A

ID: 247208

4-(aminomethyl)-N,N-dimethylpyrimidin-2-amine

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-126468
A&J Pharmtech	AJA-O20428

Database	Data ID
PubChem	62747375

M. W.

152.19698

CAS

Similarity

N/A

ID: 247209

5-bromo-2-cyclopropylpyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C8H7BrN2O2

Suppliers	Catalog Number
Enamine	EN300-126469

Database	Data ID
PubChem	67352245

M. W.

243.05738

CAS

Similarity

N/A

ID: 247210

2-chloro-N-(3-methyl-1-phenylbutyl)acetamide

$$$$ Data

M. F.

C13H18ClNO

Suppliers	Catalog Number
Enamine	EN300-12647

Database	Data ID
PubChem	4962018

M. W.

239.74112

CAS

Similarity

N/A

ID: 247211

6-methyl-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one

$$$$ Data

M. F.

C8H8N2O2

Suppliers	Catalog Number
Enamine	EN300-126470

Database	Data ID
PubChem	66936595

M. W.

164.16132

CAS

Similarity

N/A

ID: 247212

1-[1-(aminomethyl)cyclopropyl]-2-methylpropan-1-ol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Enamine	EN300-126472

Database	Data ID
PubChem	71758169

M. W.

143.22668

CAS

Similarity

N/A

ID: 247213

3-(4-tert-butylphenyl)cyclohexan-1-ol

$$$$ Data

M. F.

C16H24O

Suppliers	Catalog Number
Enamine	EN300-126473

Database	Data ID
PubChem	64516523

M. W.

232.36116

CAS

Similarity

N/A

ID: 247214

1-azido-4-bromo-2-methylbenzene

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Enamine	EN300-126474

Database	Data ID
PubChem	71683176

M. W.

212.04664

CAS

Similarity

N/A

ID: 247215

6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
Enamine	EN300-126475

Database	Data ID
PubChem	12891823

M. W.

221.68278

CAS

Similarity

N/A

ID: 247216

2-amino-3-methoxypropanenitrile hydrochloride

$$$$ Data

M. F.

C4H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-126476

Database	Data ID
PubChem	71758170

M. W.

136.58006

CAS

Similarity

N/A

ID: 247217

5-bromo-2-(difluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H5BrF2N2

Suppliers	Catalog Number
Enamine	EN300-126477

Database	Data ID
PubChem	64723539

M. W.

247.0395064

CAS

Similarity

N/A

ID: 247218

methyl 5-(2-cyanophenyl)-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C12H9N3O2

Suppliers	Catalog Number
Enamine	EN300-126478

Database	Data ID
PubChem	68704705

M. W.

227.21876

CAS

Similarity

N/A

ID: 247219

N-(naphthalen-1-ylmethyl)aniline

$$$$ Data

M. F.

C17H15N

Suppliers	Catalog Number
Enamine	EN300-126479

Database	Data ID
PubChem	588253

M. W.

233.3077

CAS

Similarity

N/A

ID: 247220

2-chloro-N-[(4-methoxyphenyl)(phenyl)methyl]acetamide

$$$$ Data

M. F.

C16H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-12648

Database	Data ID
PubChem	4962019

M. W.

289.75674

CAS

Similarity

N/A

ID: 247221

(1-amino-4-methylcyclohexyl)methanol hydrochloride

$$$$ Data

M. F.

C8H18ClNO

Suppliers	Catalog Number
Enamine	EN300-126480

Database	Data ID
PubChem	71758171

M. W.

179.68762

CAS

Similarity

N/A

ID: 247222

4-chloro-2-(trifluoromethyl)phenol

$$$$ Data

M. F.

C7H4ClF3O

Suppliers	Catalog Number
Enamine	EN300-126482

Database	Data ID
PubChem	12918151

M. W.

196.5542696

CAS

Similarity

N/A

ID: 247223

(3-methanesulfonylphenyl)hydrazine

$$$$ Data

M. F.

C7H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-126483

Database	Data ID
PubChem	22034382

M. W.

186.2315

CAS

Similarity

N/A

ID: 247224

1-(2,6-dimethylpyridin-4-yl)ethan-1-one

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Enamine	EN300-126484
A&J Pharmtech	AJA-O29167

Database	Data ID
PubChem	13227323

M. W.

149.18974

CAS

72693-15-3

Similarity

N/A

ID: 247225

6-chloro-8-(2-chloroethyl)-3,4-dihydro-2H-1,5-benzodioxepine

$$$$ Data

M. F.

C11H12Cl2O2

Suppliers	Catalog Number
Enamine	EN300-126485

Database	Data ID
PubChem	64868124

M. W.

247.11778

CAS

Similarity

N/A

ID: 247226

3-methoxy-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

$$$$ Data

M. F.

C6H6N2OS2

Suppliers	Catalog Number
Enamine	EN300-126487

Database	Data ID
PubChem	705879

M. W.

186.25464

CAS

Similarity

N/A

ID: 247227

3-(2-oxo-1,2-dihydroquinoline-4-amido)benzoic acid

$$$$ Data

M. F.

C17H12N2O4

Suppliers	Catalog Number
Enamine	EN300-12649

Database	Data ID
PubChem	906984

M. W.

308.28818

CAS

Similarity

N/A

ID: 247228

2-amino-3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C6H11NO4S

Suppliers	Catalog Number
Enamine	EN300-126490

Database	Data ID
PubChem	24704842

M. W.

193.22084

CAS

Similarity

N/A

ID: 247229

4-methoxypyrrolidine-2-carboxamide

$$$$ Data

M. F.

C6H12N2O2

Suppliers	Catalog Number
Enamine	EN300-126491

Database	Data ID
PubChem	18683679

M. W.

144.17168

CAS

Similarity

N/A

ID: 247230

3-(chloromethyl)-4-methyl-5-(propan-2-yl)-4H-1,2,4-triazole hydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-126495

Database	Data ID
PubChem	71758172

M. W.

210.10422

CAS

Similarity

N/A

ID: 247231

methyl 5-[2-(aminomethyl)phenyl]-1H-pyrazole-3-carboxylate dihydrochloride

$$$$ Data

M. F.

C12H15Cl2N3O2

Suppliers	Catalog Number
Enamine	EN300-126496

Database	Data ID
PubChem	71758173

M. W.

304.1724

CAS

Similarity

N/A

ID: 247232

1-(5-bromo-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one

$$$$ Data

M. F.

C13H13BrO2

Suppliers	Catalog Number
Enamine	EN300-126497

Database	Data ID
PubChem	65428415

M. W.

281.14512

CAS

Similarity

N/A

ID: 247233

5-chloro-7-methyl-1-benzofuran-2-carbonitrile

$$$$ Data

M. F.

C10H6ClNO

Suppliers	Catalog Number
Enamine	EN300-126498

Database	Data ID
PubChem	62379763

M. W.

191.61374

CAS

Similarity

N/A

ID: 247234

9H-fluoren-9-amine

$$$$ Data

M. F.

C13H11N

Suppliers	Catalog Number
Enamine	EN300-12650

Database	Data ID
PubChem	10671

M. W.

181.23314

CAS

525-03-1

Similarity

N/A

ID: 247235

3-chloro-5-(chlorosulfonyl)-2,4-difluorobenzoic acid

$$$$ Data

M. F.

C7H2Cl2F2O4S

Suppliers	Catalog Number
Enamine	EN300-126508

Database	Data ID
PubChem	71758174

M. W.

291.0561864

CAS

Similarity

N/A

ID: 247236

(2E)-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)prop-2-enoic acid

$$$$ Data

M. F.

C15H15NO2

Suppliers	Catalog Number
Enamine	EN300-12652

Database	Data ID
PubChem	5787350

M. W.

241.2851

CAS

Similarity

N/A

ID: 247237

N-methyl-2-(propan-2-yl)-1,3-benzoxazol-5-amine dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-126527

Database	Data ID
PubChem	71758175

M. W.

263.16354

CAS

Similarity

N/A

ID: 247238

1-(2-methylpropyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
ChemBridge	4014298
Enamine	EN300-12653

Database	Data ID
PubChem	4962021

M. W.

139.19822

CAS

3524-18-3

Similarity

N/A

ID: 247239

2-chloro-6-methanesulfonylbenzoic acid

$$$$ Data

M. F.

C8H7ClO4S

Suppliers	Catalog Number
Enamine	EN300-126533

Database	Data ID
PubChem	19978797

M. W.

234.65678

CAS

Similarity

N/A

ID: 247240

2-amino-2,3,3-trimethylbutanenitrile

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-126534

Database	Data ID
PubChem	15683375

M. W.

126.19946

CAS

Similarity

N/A

ID: 247241

4-amino-2-cyclopropyl-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Enamine	EN300-126535

Database	Data ID
PubChem	28773199

M. W.

202.2093

CAS

Similarity

N/A

ID: 247242

[4-(2-aminoethyl)phenyl]methanol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-126536
A&J Pharmtech	AJA-O28918

Database	Data ID
PubChem	12671358

M. W.

151.20562

CAS

64353-30-6

Similarity

N/A

ID: 247243

1-azaspiro[3.5]nonan-7-ylmethanol

$$$$ Data

M. F.

C9H17NO

Suppliers	Catalog Number
Enamine	EN300-126537

Database	Data ID
PubChem	71758176

M. W.

155.23738

CAS

Similarity

N/A

ID: 247244

(3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Enamine	EN300-126538

Database	Data ID
PubChem	22868923

M. W.

178.1879

CAS

Similarity

N/A

ID: 247245

N-methyl-1-phenylpiperidin-4-amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-126539

Database	Data ID
PubChem	20664714

M. W.

190.28472

CAS

Similarity

N/A

ID: 247246

1-(2-bromo-4-methoxyphenyl)ethan-1-ol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Enamine	EN300-126540

Database	Data ID
PubChem	9856044

M. W.

231.08644

CAS

Similarity

N/A

ID: 247247

(4-benzylphenyl)methanol

$$$$ Data

M. F.

C14H14O

Suppliers	Catalog Number
Enamine	EN300-126543

Database	Data ID
PubChem	597614

M. W.

198.26036

CAS

Similarity

N/A

ID: 247248

1-(2-bromo-4-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Enamine	EN300-126544

Database	Data ID
PubChem	10657006

M. W.

229.07056

CAS

Similarity

N/A

ID: 247249

1-(butan-2-yl)-5-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
Enamine	EN300-126545

Database	Data ID
PubChem	19619852

M. W.

153.2248

CAS

Similarity

N/A

ID: 247250

1-(3,3-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C11H22N2O

Suppliers	Catalog Number
Enamine	EN300-126546

Database	Data ID
PubChem	58562017

M. W.

198.30518

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