Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-21996

Database	Data ID
PubChem	9115272

M. W.

240.32194

CAS

Similarity

N/A

ID: 251402

2-(5-bromofuran-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C7H4BrClN2O2

Suppliers	Catalog Number
Enamine	EN300-22014

Database	Data ID
PubChem	16226857

M. W.

263.47586

CAS

Similarity

N/A

ID: 251403

2-(chloromethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C9H6ClFN2O

Suppliers	Catalog Number
Enamine	EN300-22041
A&J Pharmtech	AJA-O21677

Database	Data ID
PubChem	16767673

M. W.

212.6081432

CAS

350672-17-2

Similarity

N/A

ID: 251404

6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Enamine	EN300-22042

Database	Data ID
PubChem	13953724

M. W.

230.26246

CAS

109402-17-7

Similarity

N/A

ID: 251405

5-cyclohexyl-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Enamine	EN300-22070

Database	Data ID
PubChem	22785

M. W.

196.24624

CAS

Similarity

N/A

ID: 251406

2-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}acetonitrile

$$$$ Data

M. F.

C14H9N3OS

Suppliers	Catalog Number
Enamine	EN300-22100

Database	Data ID
PubChem	16768360

M. W.

267.30576

CAS

Similarity

N/A

ID: 251407

2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetic acid

$$$$ Data

M. F.

C11H8F3NO3S

Suppliers	Catalog Number
Enamine	EN300-22112

Database	Data ID
PubChem	16226858

M. W.

291.2463296

CAS

7196-94-3

Similarity

N/A

ID: 251408

7-methoxy-4-(pyridin-3-yl)quinoline-2-thiol

$$$$ Data

M. F.

C15H12N2OS

Suppliers	Catalog Number
Enamine	EN300-22121

Database	Data ID
PubChem	9361755

M. W.

268.33358

CAS

Similarity

N/A

ID: 251409

2-bromo-1-(2-ethoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11BrO2

Suppliers	Catalog Number
Enamine	EN300-22157

Database	Data ID
PubChem	14742524

M. W.

243.09714

CAS

152074-07-2

Similarity

N/A

ID: 251410

3-cyclopropylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C8H8O2S

Suppliers	Catalog Number
Enamine	EN300-22174

Database	Data ID
PubChem	45791351

M. W.

168.21292

CAS

Similarity

N/A

ID: 251411

2-chloro-1-(2,4-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Enamine	EN300-22190

Database	Data ID
PubChem	75808

M. W.

182.64674

CAS

Similarity

N/A

ID: 251412

2,2-dimethylpropanecarbonyl isothiocyanate

$$$$ Data

M. F.

C6H9NOS

Suppliers	Catalog Number
Enamine	EN300-22223

Database	Data ID
PubChem	11040808

M. W.

143.20676

CAS

Similarity

N/A

ID: 251413

N-(4-hydroxyphenyl)-N,2,2-trimethylpropanamide

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Enamine	EN300-22232

Database	Data ID
PubChem	28738938

M. W.

207.26888

CAS

Similarity

N/A

ID: 251414

4-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide

$$$$ Data

M. F.

C14H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-22233

Database	Data ID
PubChem	28738951

M. W.

261.70358

CAS

Similarity

N/A

ID: 251415

methyl 4-[(2-chloropropanamido)methyl]benzoate

$$$$ Data

M. F.

C12H14ClNO3

Suppliers	Catalog Number
Enamine	EN300-22260

Database	Data ID
PubChem	42920711

M. W.

255.69746

CAS

Similarity

N/A

ID: 251416

1,3,5-triazinane-2,4-dione

$$$$ Data

M. F.

C3H5N3O2

Suppliers	Catalog Number
Enamine	EN300-22343

Database	Data ID
PubChem	33674

M. W.

115.0907

CAS

27032-78-6

Similarity

N/A

ID: 251417

N-[4-(4-bromophenoxy)phenyl]-2-chloroacetamide

$$$$ Data

M. F.

C14H11BrClNO2

Suppliers	Catalog Number
Enamine	EN300-22346

Database	Data ID
PubChem	16226859

M. W.

340.59964

CAS

36160-96-0

Similarity

N/A

ID: 251418

N-[(4-bromophenyl)methyl]-2-chloro-N-methylacetamide

$$$$ Data

M. F.

C10H11BrClNO

Suppliers	Catalog Number
Enamine	EN300-22355

Database	Data ID
PubChem	7131788

M. W.

276.55744

CAS

Similarity

N/A

ID: 251419

(4-chlorophenyl)(phenyl)methanethiol

$$$$ Data

M. F.

C13H11ClS

Suppliers	Catalog Number
Enamine	EN300-22360

Database	Data ID
PubChem	12281220

M. W.

234.74444

CAS

Similarity

N/A

ID: 251420

4-[(4-ethylpiperazin-1-yl)sulfonyl]aniline

$$$$ Data

M. F.

C12H19N3O2S

Suppliers	Catalog Number
Enamine	EN300-22363

Database	Data ID
PubChem	17480859

M. W.

269.36316

CAS

Similarity

N/A

ID: 251421

3-[(4-ethylpiperazin-1-yl)sulfonyl]aniline

$$$$ Data

M. F.

C12H19N3O2S

Suppliers	Catalog Number
Enamine	EN300-22364

Database	Data ID
PubChem	4713666

M. W.

269.36316

CAS

Similarity

N/A

ID: 251422

4-[methyl(phenyl)amino]benzaldehyde

$$$$ Data

M. F.

C14H13NO

Suppliers	Catalog Number
ChemBridge	4302136
Enamine	EN300-22371

Database	Data ID
PubChem	11424381

M. W.

211.25912

CAS

55489-38-8

Similarity

N/A

ID: 251423

ethyl 2-(chloromethyl)-1-ethyl-1H-1,3-benzodiazole-5-carboxylate

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-22373

Database	Data ID
PubChem	52908083

M. W.

266.7234

CAS

Similarity

N/A

ID: 251424

2-bromo-3-methylbutanamide

$$$$ Data

M. F.

C5H10BrNO

Suppliers	Catalog Number
Enamine	EN300-22390

Database	Data ID
PubChem	344884

M. W.

180.043

CAS

Similarity

N/A

ID: 251425

2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

$$$$ Data

M. F.

C10H7NO4

Suppliers	Catalog Number
ChemBridge	4009813
Enamine	EN300-22401

Database	Data ID
PubChem	883431

M. W.

205.16688

CAS

42710-39-4

Similarity

N/A

ID: 251426

N-(2-aminoethyl)cyclopropanecarboxamide

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Enamine	EN300-22410

Database	Data ID
PubChem	12841723

M. W.

128.17228

CAS

Similarity

N/A

ID: 251427

2-[4-(carbamoylamino)phenyl]acetic acid

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
Enamine	EN300-22411

Database	Data ID
PubChem	155195

M. W.

194.1873

CAS

Similarity

N/A

ID: 251428

2-(2-chlorophenoxymethyl)oxirane

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Enamine	EN300-22422

Database	Data ID
PubChem	137500

M. W.

184.61956

CAS

Similarity

N/A

ID: 251429

2-[5-methyl-2-(propan-2-yl)phenoxymethyl]oxirane

$$$$ Data

M. F.

C13H18O2

Suppliers	Catalog Number
Enamine	EN300-22427

Database	Data ID
PubChem	12548700

M. W.

206.28082

CAS

49645-94-5

Similarity

N/A

ID: 251430

2-(4-phenoxyphenoxymethyl)oxirane

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Enamine	EN300-22432

Database	Data ID
PubChem	15590006

M. W.

242.26986

CAS

Similarity

N/A

ID: 251431

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

$$$$ Data

M. F.

C13H13ClN2O4

Suppliers	Catalog Number
Enamine	EN300-22453

Database	Data ID
PubChem	43212599

M. W.

296.70632

CAS

Similarity

N/A

ID: 251432

N-(2-aminoethyl)-2-methylpropanamide

$$$$ Data

M. F.

C6H14N2O

Suppliers	Catalog Number
ChemBridge	4027734
Enamine	EN300-22474

Database	Data ID
PubChem	12681828

M. W.

130.18816

CAS

53673-16-8

Similarity

N/A

ID: 251433

3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

$$$$ Data

M. F.

C10H17N3O2

Suppliers	Catalog Number
Enamine	EN300-22478

Database	Data ID
PubChem	25323207

M. W.

211.26088

CAS

Similarity

N/A

ID: 251434

1,4-dithiane-2-carboxylic acid

$$$$ Data

M. F.

C5H8O2S2

Suppliers	Catalog Number
Enamine	EN300-22480

Database	Data ID
PubChem	20547426

M. W.

164.24582

CAS

Similarity

N/A

ID: 251435

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

$$$$ Data

M. F.

C12H11BrN2O4

Suppliers	Catalog Number
Enamine	EN300-22488

Database	Data ID
PubChem	43212602

M. W.

327.13074

CAS

Similarity

N/A

ID: 251436

1-(2-chloroacetyl)-3-(1-methoxypropan-2-yl)urea

$$$$ Data

M. F.

C7H13ClN2O3

Suppliers	Catalog Number
Enamine	EN300-22490

Database	Data ID
PubChem	43089798

M. W.

208.64272

CAS

Similarity

N/A

ID: 251437

2-(2,4-dimethylphenoxymethyl)oxirane

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-22503

Database	Data ID
PubChem	12619678

M. W.

178.22766

CAS

20217-04-3

Similarity

N/A

ID: 251438

2-(2-tert-butylphenoxymethyl)oxirane

$$$$ Data

M. F.

C13H18O2

Suppliers	Catalog Number
Enamine	EN300-22518

Database	Data ID
PubChem	3016220

M. W.

206.28082

CAS

40786-25-2

Similarity

N/A

ID: 251439

3-chloro-N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]propanamide

$$$$ Data

M. F.

C15H21ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-22534

Database	Data ID
PubChem	16226860

M. W.

360.85624

CAS

Similarity

N/A

ID: 251440

2-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
Enamine	EN300-22555

Database	Data ID
PubChem	703431

M. W.

219.19346

CAS

Similarity

N/A

ID: 251441

2-{2',5'-dioxo-6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidine]-1'-yl}a...

$$$$ Data

M. F.

C12H12N2O4S

Suppliers	Catalog Number
Enamine	EN300-22556

Database	Data ID
PubChem	16226861

M. W.

280.29968

CAS

Similarity

N/A

ID: 251442

N-(benzyloxy)-2-chloroacetamide

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-22557

Database	Data ID
PubChem	22495495

M. W.

199.6342

CAS

Similarity

N/A

ID: 251443

1-[4-(chloromethyl)benzoyl]pyrrolidine

$$$$ Data

M. F.

C12H14ClNO

Suppliers	Catalog Number
Enamine	EN300-22571

Database	Data ID
PubChem	16226862

M. W.

223.69866

CAS

Similarity

N/A

ID: 251444

5-methanesulfonyl-2-methylaniline hydrochloride

$$$$ Data

M. F.

C8H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-22572

Database	Data ID
PubChem	17511953

M. W.

221.70438

CAS

Similarity

N/A

ID: 251445

2-chloro-1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C12H14ClFN2O3S

Suppliers	Catalog Number
Enamine	EN300-22573

Database	Data ID
PubChem	9391802

M. W.

320.7675632

CAS

Similarity

N/A

ID: 251446

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-on...

$$$$ Data

M. F.

C14H17ClN2O5S

Suppliers	Catalog Number
Enamine	EN300-22575

Database	Data ID
PubChem	2051980

M. W.

360.81318

CAS

Similarity

N/A

ID: 251447

2-chloro-1-[4-(3,4-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C12H13ClF2N2O3S

Suppliers	Catalog Number
Enamine	EN300-22578

Database	Data ID
PubChem	9533926

M. W.

338.7580264

CAS

Similarity

N/A

ID: 251448

2-chloro-1-{4-[(E)-2-phenylethenesulfonyl]piperazin-1-yl}ethan-1-one

$$$$ Data

M. F.

C14H17ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-22582

Database	Data ID
PubChem	16226863

M. W.

328.81438

CAS

Similarity

N/A

ID: 251449

2-chloro-1-[4-(2-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C12H14ClFN2O3S

Suppliers	Catalog Number
Enamine	EN300-22584

Database	Data ID
PubChem	16226864

M. W.

320.7675632

CAS

Similarity

N/A

ID: 251450

2-chloro-1-[4-(3,4-dimethylbenzenesulfonyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C14H19ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-22585

Database	Data ID
PubChem	16226865

M. W.

330.83026

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