Chembase list of 866358 unique molecular structures

2-[5-(chloromethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷

$$$$ Data

M. F.

C13H12ClN3OS

Suppliers	Catalog Number
Enamine	EN300-10325

Database	Data ID
PubChem	2410804

M. W.

293.77188

CAS

Similarity

N/A

ID: 236302

2-[(2-aminoethyl)sulfanyl]acetic acid hydrochloride

$$$$ Data

M. F.

C4H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-103254

Database	Data ID
PubChem	71755687

M. W.

171.6457

CAS

Similarity

N/A

ID: 236303

3-(isoquinolin-4-yl)prop-2-enoic acid

$$$$ Data

M. F.

C12H9NO2

Suppliers	Catalog Number
Enamine	EN300-103256

Database	Data ID
PubChem	6054723

M. W.

199.20536

CAS

Similarity

N/A

ID: 236304

methyl 2-[(5-methyl-3-nitropyridin-2-yl)amino]acetate

$$$$ Data

M. F.

C9H11N3O4

Suppliers	Catalog Number
Enamine	EN300-103257

Database	Data ID
PubChem	66278063

M. W.

225.20134

CAS

Similarity

N/A

ID: 236305

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

$$$$ Data

M. F.

C8H9N3O

Suppliers	Catalog Number
Enamine	EN300-103258

Database	Data ID
PubChem	71755688

M. W.

163.17656

CAS

Similarity

N/A

ID: 236306

2-{[(propan-2-yl)amino]methyl}-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C12H16ClN3O

Suppliers	Catalog Number
Enamine	EN300-10326

Database	Data ID
PubChem	16245525

M. W.

253.72794

CAS

Similarity

N/A

ID: 236307

2-(methylsulfanyl)-4-phenyl-1H-imidazole

$$$$ Data

M. F.

C10H10N2S

Suppliers	Catalog Number
Enamine	EN300-103260

Database	Data ID
PubChem	3904984

M. W.

190.2648

CAS

Similarity

N/A

ID: 236308

6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Enamine	EN300-103262

Database	Data ID
PubChem	55269218

M. W.

195.21512

CAS

Similarity

N/A

ID: 236309

3-(2,4-difluorophenyl)but-2-enoic acid

$$$$ Data

M. F.

C10H8F2O2

Suppliers	Catalog Number
Enamine	EN300-103263

Database	Data ID
PubChem	28791539

M. W.

198.1661264

CAS

Similarity

N/A

ID: 236310

methyl 2-[(3-nitropyridin-2-yl)amino]acetate

$$$$ Data

M. F.

C8H9N3O4

Suppliers	Catalog Number
Enamine	EN300-103264

Database	Data ID
PubChem	29038032

M. W.

211.17476

CAS

Similarity

N/A

ID: 236311

4-{2-[(2,4-difluorophenyl)amino]-1,3-thiazol-4-yl}benzene-1,3-diol

$$$$ Data

M. F.

C15H10F2N2O2S

Suppliers	Catalog Number
Enamine	EN300-103265

Database	Data ID
PubChem	32374124

M. W.

320.3139064

CAS

Similarity

N/A

ID: 236312

sodium 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C12H10NNaO3S

Suppliers	Catalog Number
Enamine	EN300-10327

Database	Data ID
PubChem	23696697

M. W.

271.26747

CAS

Similarity

N/A

ID: 236313

ethyl 2-[methyl(3-nitropyridin-4-yl)amino]acetate

$$$$ Data

M. F.

C10H13N3O4

Suppliers	Catalog Number
Enamine	EN300-103272

Database	Data ID
PubChem	62007150

M. W.

239.22792

CAS

Similarity

N/A

ID: 236314

7-chloro-1-benzofuran-2-carboxylic acid

$$$$ Data

M. F.

C9H5ClO3

Suppliers	Catalog Number
Enamine	EN300-103274

Database	Data ID
PubChem	18476770

M. W.

196.5872

CAS

Similarity

N/A

ID: 236315

2-hydroxy-2,3-dihydro-1H-indene-2-carboxamide

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-103275

Database	Data ID
PubChem	12857778

M. W.

177.19984

CAS

Similarity

N/A

ID: 236316

4-amino-3,4-dihydro-2H-1-benzopyran-4-carboxamide

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-103277

Database	Data ID
PubChem	20163238

M. W.

192.21448

CAS

Similarity

N/A

ID: 236317

2-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

$$$$ Data

M. F.

C9H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-103278

Database	Data ID
PubChem	13362974

M. W.

261.11572

CAS

Similarity

N/A

ID: 236318

2-{[(butan-2-yl)amino]methyl}-3,4-dihydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C13H18ClN3O

Suppliers	Catalog Number
Enamine	EN300-10328

Database	Data ID
PubChem	16245524

M. W.

267.75452

CAS

Similarity

N/A

ID: 236319

tert-butyl 5-amino-1,2,3-thiadiazole-4-carboxylate

$$$$ Data

M. F.

C7H11N3O2S

Suppliers	Catalog Number
Enamine	EN300-103280

Database	Data ID
PubChem	71755689

M. W.

201.24614

CAS

Similarity

N/A

ID: 236320

3-fluoro-5-sulfamoylbenzoic acid

$$$$ Data

M. F.

C7H6FNO4S

Suppliers	Catalog Number
Enamine	EN300-103281

Database	Data ID
PubChem	16772365

M. W.

219.1902432

CAS

Similarity

N/A

ID: 236321

2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Enamine	EN300-103282

Database	Data ID
PubChem	345764

M. W.

147.17716

CAS

Similarity

N/A

ID: 236322

2-(1-aminocyclobutyl)acetamide hydrochloride

$$$$ Data

M. F.

C6H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-103284

Database	Data ID
PubChem	71755690

M. W.

164.63322

CAS

Similarity

N/A

ID: 236323

2-(2-methoxyethyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Enamine	EN300-103285

Database	Data ID
PubChem	62589496

M. W.

192.21448

CAS

Similarity

N/A

ID: 236324

3-(2-methylphenyl)propan-1-ol

$$$$ Data

M. F.

C10H14O

Suppliers	Catalog Number
Enamine	EN300-103286

Database	Data ID
PubChem	12368041

M. W.

150.21756

CAS

Similarity

N/A

ID: 236325

2-chloro-N-propyl-N-[(propylcarbamoyl)methyl]acetamide

$$$$ Data

M. F.

C10H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-103288

Database	Data ID
PubChem	60948427

M. W.

234.72306

CAS

Similarity

N/A

ID: 236326

2-[2-(chloromethyl)-4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitril...

$$$$ Data

M. F.

C15H10ClN3OS

Suppliers	Catalog Number
Enamine	EN300-10329

Database	Data ID
PubChem	2452225

M. W.

315.7774

CAS

Similarity

N/A

ID: 236327

ethyl 2-(propan-2-yloxy)acetate

$$$$ Data

M. F.

C7H14O3

Suppliers	Catalog Number
Enamine	EN300-103290

Database	Data ID
PubChem	537908

M. W.

146.18426

CAS

Similarity

N/A

ID: 236328

2-(6-methoxypyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-103291
A&J Pharmtech	AJA-O21318

Database	Data ID
PubChem	21243519

M. W.

152.19368

CAS

194658-15-6

Similarity

N/A

ID: 236329

N-(3,3,3-trifluoropropyl)cyclopentanamine

$$$$ Data

M. F.

C8H14F3N

Suppliers	Catalog Number
Enamine	EN300-103293

Database	Data ID
PubChem	60686967

M. W.

181.1986696

CAS

Similarity

N/A

ID: 236330

2-(pyrrolidin-2-yl)cyclohexan-1-one hydrochloride

$$$$ Data

M. F.

C10H18ClNO

Suppliers	Catalog Number
Enamine	EN300-103294

Database	Data ID
PubChem	71755692

M. W.

203.70902

CAS

Similarity

N/A

ID: 236331

N-(3,3,3-trifluoropropyl)cyclohexanamine

$$$$ Data

M. F.

C9H16F3N

Suppliers	Catalog Number
Enamine	EN300-103295

Database	Data ID
PubChem	60683699

M. W.

195.2252496

CAS

Similarity

N/A

ID: 236332

1-[4-(propan-2-yl)cyclohexyl]piperazine

$$$$ Data

M. F.

C13H26N2

Suppliers	Catalog Number
Enamine	EN300-103296

Database	Data ID
PubChem	62708641

M. W.

210.35894

CAS

Similarity

N/A

ID: 236333

3-(oxan-4-yloxy)propanoic acid

$$$$ Data

M. F.

C8H14O4

Suppliers	Catalog Number
Enamine	EN300-103297

Database	Data ID
PubChem	19037415

M. W.

174.19436

CAS

Similarity

N/A

ID: 236334

(prop-2-en-1-yl)(3,3,3-trifluoropropyl)amine

$$$$ Data

M. F.

C6H10F3N

Suppliers	Catalog Number
Enamine	EN300-103299

Database	Data ID
PubChem	60685842

M. W.

153.1455096

CAS

Similarity

N/A

ID: 236335

2-chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

$$$$ Data

M. F.

C16H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-10330

Database	Data ID
PubChem	1537017

M. W.

291.77262

CAS

Similarity

N/A

ID: 236336

2,3-dihydro-1,3,4-oxadiazol-2-one

$$$$ Data

M. F.

C2H2N2O2

Suppliers	Catalog Number
Enamine	EN300-103300

Database	Data ID
PubChem	18428992

M. W.

86.04948

CAS

Similarity

N/A

ID: 236337

3-methyl-2-(1H-pyrrol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Enamine	EN300-103301

Database	Data ID
PubChem	63306746

M. W.

172.22638

CAS

Similarity

N/A

ID: 236338

1-(3-aminopyrrolidin-1-yl)-3-phenylpropan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-103305

Database	Data ID
PubChem	62067667

M. W.

218.29482

CAS

Similarity

N/A

ID: 236339

1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C12H18ClN3

Suppliers	Catalog Number
Enamine	EN300-103307

Database	Data ID
PubChem	71755694

M. W.

239.74442

CAS

Similarity

N/A

ID: 236340

1-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

$$$$ Data

M. F.

C15H15BrClNO

Suppliers	Catalog Number
Enamine	EN300-10331

Database	Data ID
PubChem	2081049

M. W.

340.6427

CAS

Similarity

N/A

ID: 236341

(2R)-2-aminopent-4-enoic acid hydrochloride

$$$$ Data

M. F.

C5H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-103312

Database	Data ID
PubChem	44630066

M. W.

151.5914

CAS

Similarity

N/A

ID: 236342

N-(2-ethylcyclohexyl)-2-fluoropyridine-4-carboxamide

$$$$ Data

M. F.

C14H19FN2O

Suppliers	Catalog Number
Enamine	EN300-103320

Database	Data ID
PubChem	60565399

M. W.

250.3118632

CAS

Similarity

N/A

ID: 236343

N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-fluoropyridine-4-carboxamide

$$$$ Data

M. F.

C15H13FN2O2

Suppliers	Catalog Number
Enamine	EN300-103321

Database	Data ID
PubChem	61294920

M. W.

272.2743232

CAS

Similarity

N/A

ID: 236344

2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-4-carboxamide

$$$$ Data

M. F.

C14H13FN2O2

Suppliers	Catalog Number
Enamine	EN300-103322

Database	Data ID
PubChem	61294963

M. W.

260.2636232

CAS

Similarity

N/A

ID: 236345

2-fluoro-N-(1-methylcyclohexyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C13H17FN2O

Suppliers	Catalog Number
Enamine	EN300-103323

Database	Data ID
PubChem	61871606

M. W.

236.2852832

CAS

Similarity

N/A

ID: 236346

2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide

$$$$ Data

M. F.

C13H14F4N2O

Suppliers	Catalog Number
Enamine	EN300-103325

Database	Data ID
PubChem	61294198

M. W.

290.2566728

CAS

Similarity

N/A

ID: 236347

2-fluoro-N-{tricyclo[5.2.1.0²,⁶]decan-8-yl}pyridine-4-carb...

$$$$ Data

M. F.

C16H19FN2O

Suppliers	Catalog Number
Enamine	EN300-103326

Database	Data ID
PubChem	61293834

M. W.

274.3332632

CAS

Similarity

N/A

ID: 236348

2-fluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Enamine	EN300-103327

Database	Data ID
PubChem	61369085

M. W.

222.2587032

CAS

Similarity

N/A

ID: 236349

N-(2-tert-butylcyclohexyl)-2-fluoropyridine-4-carboxamide

$$$$ Data

M. F.

C16H23FN2O

Suppliers	Catalog Number
Enamine	EN300-103328

Database	Data ID
PubChem	61294003

M. W.

278.3650232

CAS

Similarity

N/A

ID: 236350

3-[3-(4-bromophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile

$$$$ Data

M. F.

C13H10BrN3O

Suppliers	Catalog Number
Enamine	EN300-10333

Database	Data ID
PubChem	2874773

M. W.

304.142

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