Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H4F2N2S

Suppliers	Catalog Number
Enamine	EN300-123208

Database	Data ID
PubChem	61075402

M. W.

186.1818664

CAS

Similarity

N/A

ID: 245452

4-fluoro-3-(methylsulfanyl)benzoic acid

$$$$ Data

M. F.

C8H7FO2S

Suppliers	Catalog Number
Enamine	EN300-123209

Database	Data ID
PubChem	11286979

M. W.

186.2033832

CAS

Similarity

N/A

ID: 245453

2-chloro-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide

$$$$ Data

M. F.

C13H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-12321

Database	Data ID
PubChem	2526720

M. W.

263.72276

CAS

Similarity

N/A

ID: 245454

2-amino-4-methyl-1-(1,2,3,4-tetrahydroquinolin-1-yl)pentan-1-one hydrochloride

$$$$ Data

M. F.

C15H23ClN2O

Suppliers	Catalog Number
Enamine	EN300-123211

Database	Data ID
PubChem	71757714

M. W.

282.80892

CAS

Similarity

N/A

ID: 245455

2-(1-methoxy-2-methylpropylidene)propanedinitrile

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-123212

Database	Data ID
PubChem	13696614

M. W.

150.1778

CAS

Similarity

N/A

ID: 245456

1-[amino(methylsulfanyl)methylidene]guanidine hydroiodide

$$$$ Data

M. F.

C3H9IN4S

Suppliers	Catalog Number
Enamine	EN300-123213

Database	Data ID
PubChem	71757715

M. W.

260.09983

CAS

Similarity

N/A

ID: 245457

methyl 2-[5-(aminomethyl)thiophen-2-yl]acetate hydrochloride

$$$$ Data

M. F.

C8H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-123214

Database	Data ID
PubChem	71757716

M. W.

221.70438

CAS

Similarity

N/A

ID: 245458

tert-butyl 5-aminopentanoate hydrochloride

$$$$ Data

M. F.

C9H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-123216

Database	Data ID
PubChem	71757718

M. W.

209.7136

CAS

Similarity

N/A

ID: 245459

3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-7-carboxylic acid hydroch...

$$$$ Data

M. F.

C9H10ClF3N2O2

Suppliers	Catalog Number
Enamine	EN300-123217

Database	Data ID
PubChem	71757719

M. W.

270.6361096

CAS

Similarity

N/A

ID: 245460

dimethyl-1,3-oxazol-2-amine

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
ChemBridge	4030804
Enamine	EN300-12322
A&J Pharmtech	AJA-O31420 AJA-O12514

Database	Data ID
PubChem	535870

M. W.

112.12982

CAS

45529-92-8

Similarity

N/A

ID: 245461

1-({2,7-dimethylimidazo[1,2-a]pyridin-3-yl}methyl)piperazine

$$$$ Data

M. F.

C14H20N4

Suppliers	Catalog Number
Enamine	EN300-12324

Database	Data ID
PubChem	4961847

M. W.

244.3354

CAS

Similarity

N/A

ID: 245462

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

$$$$ Data

M. F.

C14H13N3

Suppliers	Catalog Number
Enamine	EN300-12325

Database	Data ID
PubChem	4961848

M. W.

223.27312

CAS

Similarity

N/A

ID: 245463

1-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol

$$$$ Data

M. F.

C10H10F2N2O

Suppliers	Catalog Number
Enamine	EN300-12326

Database	Data ID
PubChem	4961849

M. W.

212.1960064

CAS

Similarity

N/A

ID: 245464

2,4,6-trimethyl-3-nitrobenzoic acid

$$$$ Data

M. F.

C10H11NO4

Suppliers	Catalog Number
Enamine	EN300-123268

Database	Data ID
PubChem	8167077

M. W.

209.19864

CAS

Similarity

N/A

ID: 245465

tert-butyl N-[(1R,2S)-2-hydroxycyclobutyl]carbamate

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Enamine	EN300-123272

Database	Data ID
PubChem	55266423

M. W.

187.23618

CAS

Similarity

N/A

ID: 245466

2-(N-methyl4-methyl-1,3-thiazole-5-amido)benzoic acid

$$$$ Data

M. F.

C13H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-123273

Database	Data ID
PubChem	18072296

M. W.

276.31098

CAS

Similarity

N/A

ID: 245467

4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-...

$$$$ Data

M. F.

C20H27N3O5S

Suppliers	Catalog Number
Enamine	EN300-123274

Database	Data ID
PubChem	52670832

M. W.

421.51048

CAS

Similarity

N/A

ID: 245468

3-[(1H-indazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid

$$$$ Data

M. F.

C12H9N3O4S2

Suppliers	Catalog Number
Enamine	EN300-123275

Database	Data ID
PubChem	60934590

M. W.

323.34756

CAS

Similarity

N/A

ID: 245469

4-bromo-1-(1-phenylethyl)-1H-pyrazole

$$$$ Data

M. F.

C11H11BrN2

Suppliers	Catalog Number
Enamine	EN300-123276

Database	Data ID
PubChem	64120426

M. W.

251.12244

CAS

Similarity

N/A

ID: 245470

2-(N-methyl5-ethylfuran-2-amido)benzoic acid

$$$$ Data

M. F.

C15H15NO4

Suppliers	Catalog Number
Enamine	EN300-123277

Database	Data ID
PubChem	43355741

M. W.

273.2839

CAS

Similarity

N/A

ID: 245471

3-{[3-(benzylcarbamoyl)phenyl]carbamoyl}propanoic acid

$$$$ Data

M. F.

C18H18N2O4

Suppliers	Catalog Number
Enamine	EN300-123278

Database	Data ID
PubChem	28638773

M. W.

326.34652

CAS

Similarity

N/A

ID: 245472

1-(2-methylbenzoyl)piperidine-2-carboxylic acid

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Enamine	EN300-123279

Database	Data ID
PubChem	16769002

M. W.

247.28968

CAS

Similarity

N/A

ID: 245473

2-(N-methyl4,5-dimethylthiophene-2-amido)benzoic acid

$$$$ Data

M. F.

C15H15NO3S

Suppliers	Catalog Number
Enamine	EN300-123280

Database	Data ID
PubChem	43355724

M. W.

289.3495

CAS

Similarity

N/A

ID: 245474

1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid

$$$$ Data

M. F.

C15H19NO3

Suppliers	Catalog Number
Enamine	EN300-123281

Database	Data ID
PubChem	16790921

M. W.

261.31626

CAS

Similarity

N/A

ID: 245475

N-(3-bromophenyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C12H9BrN2O

Suppliers	Catalog Number
Enamine	EN300-123282

Database	Data ID
PubChem	279874

M. W.

277.11666

CAS

Similarity

N/A

ID: 245476

(2-methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine

$$$$ Data

M. F.

C12H26N2O

Suppliers	Catalog Number
Enamine	EN300-123285

Database	Data ID
PubChem	62212503

M. W.

214.34764

CAS

Similarity

N/A

ID: 245477

4-(3-hydroxyphenoxy)pyridine-2-carboxamide

$$$$ Data

M. F.

C12H10N2O3

Suppliers	Catalog Number
Enamine	EN300-123286

Database	Data ID
PubChem	60870866

M. W.

230.2194

CAS

Similarity

N/A

ID: 245478

3-bromo-2-methylpropan-1-ol

$$$$ Data

M. F.

C4H9BrO

Suppliers	Catalog Number
Enamine	EN300-123287

Database	Data ID
PubChem	535500

M. W.

153.01766

CAS

Similarity

N/A

ID: 245479

3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

$$$$ Data

M. F.

C6H6N4O

Suppliers	Catalog Number
ChemBridge	4043348
Enamine	EN300-123288

Database	Data ID
PubChem	252884

M. W.

150.13804

CAS

89799-07-5

Similarity

N/A

ID: 245480

4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-123289

Database	Data ID
PubChem	62694259

M. W.

152.19698

CAS

Similarity

N/A

ID: 245481

4-(3-hydroxyphenoxy)-N-methylpyridine-2-carboxamide

$$$$ Data

M. F.

C13H12N2O3

Suppliers	Catalog Number
Enamine	EN300-123290

Database	Data ID
PubChem	60871056

M. W.

244.24598

CAS

Similarity

N/A

ID: 245482

3-amino-1λ⁶-thietane-1,1-dione hydrochloride

$$$$ Data

M. F.

C3H8ClNO2S

Suppliers	Catalog Number
Enamine	EN300-123291

Database	Data ID
PubChem	71757721

M. W.

157.61912

CAS

Similarity

N/A

ID: 245483

2-(methylsulfanyl)pyridin-4-amine

$$$$ Data

M. F.

C6H8N2S

Suppliers	Catalog Number
Enamine	EN300-123293

Database	Data ID
PubChem	53486302

M. W.

140.20612

CAS

Similarity

N/A

ID: 245484

4-chloro-3-ethyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-123294

Database	Data ID
PubChem	61795671

M. W.

174.58498

CAS

Similarity

N/A

ID: 245485

5-(propan-2-yl)-1,2,4-oxadiazol-3-amine

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
ChemBridge	4040092
Enamine	EN300-123296

Database	Data ID
PubChem	51072247

M. W.

127.14446

CAS

868696-41-7

Similarity

N/A

ID: 245486

3-(2-methylcyclopropyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C7H9NO

Suppliers	Catalog Number
Enamine	EN300-123299

Database	Data ID
PubChem	43115673

M. W.

123.15246

CAS

Similarity

N/A

ID: 245487

2,4,5-trimethoxybenzonitrile

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-12330

Database	Data ID
PubChem	910015

M. W.

193.19924

CAS

14894-77-0

Similarity

N/A

ID: 245488

2-chloro-4-(1H-pyrazol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
Enamine	EN300-123300

Database	Data ID
PubChem	62471130

M. W.

193.63292

CAS

Similarity

N/A

ID: 245489

(1R)-1-(3-fluoro-4-methylphenyl)propan-1-ol

$$$$ Data

M. F.

C10H13FO

Suppliers	Catalog Number
Enamine	EN300-123301

Database	Data ID
PubChem	71757722

M. W.

168.2080232

CAS

Similarity

N/A

ID: 245490

1-(2,2-dimethylpiperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-123302

Database	Data ID
PubChem	64981211

M. W.

156.22544

CAS

Similarity

N/A

ID: 245491

[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

$$$$ Data

M. F.

C8H12F2N4

Suppliers	Catalog Number
Enamine	EN300-123303

Database	Data ID
PubChem	71757723

M. W.

202.2044864

CAS

Similarity

N/A

ID: 245492

2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N4

Suppliers	Catalog Number
Enamine	EN300-123304

Database	Data ID
PubChem	71757724

M. W.

275.17754

CAS

Similarity

N/A

ID: 245493

(2,6-dichlorophenyl)(oxan-4-yl)methanol

$$$$ Data

M. F.

C12H14Cl2O2

Suppliers	Catalog Number
Enamine	EN300-123305

Database	Data ID
PubChem	63935038

M. W.

261.14436

CAS

Similarity

N/A

ID: 245494

(1S)-1-(3-fluoro-4-methylphenyl)propan-1-ol

$$$$ Data

M. F.

C10H13FO

Suppliers	Catalog Number
Enamine	EN300-123306

Database	Data ID
PubChem	71757725

M. W.

168.2080232

CAS

Similarity

N/A

ID: 245495

N-[2-(4-chlorophenyl)ethyl]-6-methylpyridazin-3-amine

$$$$ Data

M. F.

C13H14ClN3

Suppliers	Catalog Number
Enamine	EN300-123307

Database	Data ID
PubChem	61380541

M. W.

247.72336

CAS

Similarity

N/A

ID: 245496

(1-butyl-3-methyl-1H-pyrazol-4-yl)methanamine

$$$$ Data

M. F.

C9H17N3

Suppliers	Catalog Number
Enamine	EN300-123308

Database	Data ID
PubChem	64450213

M. W.

167.25138

CAS

Similarity

N/A

ID: 245497

tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C11H21NO2S

Suppliers	Catalog Number
Enamine	EN300-123309
Bide Pharmatech	BD210729

Database	Data ID
PubChem	58694772

M. W.

231.35494

CAS

581060-27-7

Similarity

N/A

ID: 245498

3-{11-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]tri...

$$$$ Data

M. F.

C14H16N2O3S

Suppliers	Catalog Number
Enamine	EN300-12331

Database	Data ID
PubChem	4095239

M. W.

292.35344

CAS

Similarity

N/A

ID: 245499

2-(piperazin-1-ylmethyl)pyrazine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-123311

Database	Data ID
PubChem	43439447

M. W.

178.23426

CAS

Similarity

N/A

ID: 245500

7-(4-fluorophenoxy)-2,3-dihydro-1,4-benzodioxin-6-amine

$$$$ Data

M. F.

C14H12FNO3

Suppliers	Catalog Number
Enamine	EN300-123313

Database	Data ID
PubChem	28412164

M. W.

261.2483832

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