Chembase list of 866358 unique molecular structures

2-[(1,1-dioxo-1λ⁶,2-benzothiazol-3-yl)amino]-4-methylpentanoic acid

$$$$ Data

M. F.

C13H16N2O4S

Suppliers	Catalog Number
Enamine	EN300-09512

Database	Data ID
PubChem	3856954

M. W.

296.34214

CAS

Similarity

N/A

ID: 234452

2-[4-(3-chlorobenzenesulfonyl)piperazine-1-carbonyl]benzoic acid

$$$$ Data

M. F.

C18H17ClN2O5S

Suppliers	Catalog Number
Enamine	EN300-09513

Database	Data ID
PubChem	2113494

M. W.

408.85598

CAS

Similarity

N/A

ID: 234453

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

$$$$ Data

M. F.

C19H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-09514

Database	Data ID
PubChem	2095906

M. W.

348.37518

CAS

Similarity

N/A

ID: 234454

2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-y...

$$$$ Data

M. F.

C14H15Cl2F3N2O2

Suppliers	Catalog Number
Enamine	EN300-09516

Database	Data ID
PubChem	2103995

M. W.

371.1823096

CAS

Similarity

N/A

ID: 234455

N-(4-bromo-2-methylphenyl)-2-(methylamino)acetamide hydrochloride

$$$$ Data

M. F.

C10H14BrClN2O

Suppliers	Catalog Number
Enamine	EN300-09517

Database	Data ID
PubChem	16242975

M. W.

293.58796

CAS

Similarity

N/A

ID: 234456

[(3,4-diethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride

$$$$ Data

M. F.

C16H30Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-09519

Database	Data ID
PubChem	16244919

M. W.

353.3276

CAS

Similarity

N/A

ID: 234457

1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
Enamine	EN300-09521

Database	Data ID
PubChem	2103992

M. W.

191.18666

CAS

Similarity

N/A

ID: 234458

4-(azepan-1-yl)benzaldehyde

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-09522

Database	Data ID
PubChem	2507867

M. W.

203.28018

CAS

Similarity

N/A

ID: 234459

sodium (1E)-3-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-olate

$$$$ Data

M. F.

C10H7NaO4

Suppliers	Catalog Number
Enamine	EN300-09523

Database	Data ID
PubChem	23670806

M. W.

214.14995

CAS

Similarity

N/A

ID: 234460

sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate

$$$$ Data

M. F.

C9H6FNaO2

Suppliers	Catalog Number
Enamine	EN300-09524

Database	Data ID
PubChem	6388991

M. W.

188.1309132

CAS

Similarity

N/A

ID: 234461

3-propyl-1,2-oxazol-5-amine

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Enamine	EN300-09525

Database	Data ID
PubChem	2104061

M. W.

126.1564

CAS

Similarity

N/A

ID: 234462

2-carbamothioyl-N-(2,4-dimethylphenyl)acetamide

$$$$ Data

M. F.

C11H14N2OS

Suppliers	Catalog Number
Enamine	EN300-09528

Database	Data ID
PubChem	2104059

M. W.

222.30666

CAS

Similarity

N/A

ID: 234463

4-benzyl-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

$$$$ Data

M. F.

C16H12N4OS

Suppliers	Catalog Number
Enamine	EN300-09531

Database	Data ID
PubChem	2104058

M. W.

308.35768

CAS

Similarity

N/A

ID: 234464

ethyl 2-(2-fluorophenyl)-7-oxo-7H-[1,2,4]triazolo[3,2-b][1,3]thiazine-5-carboxyl...

$$$$ Data

M. F.

C14H10FN3O3S

Suppliers	Catalog Number
Enamine	EN300-09534

Database	Data ID
PubChem	2104060

M. W.

319.3109032

CAS

Similarity

N/A

ID: 234465

ethyl 2-[(2Z)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate

$$$$ Data

M. F.

C8H11NO3S

Suppliers	Catalog Number
Enamine	EN300-09536

Database	Data ID
PubChem	2090930

M. W.

201.24284

CAS

27653-75-4

Similarity

N/A

ID: 234466

3-(3-chloro-4-fluorobenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C9H9ClFNO4S

Suppliers	Catalog Number
Enamine	EN300-09538

Database	Data ID
PubChem	697756

M. W.

281.6884632

CAS

Similarity

N/A

ID: 234467

2-(3,4-dimethylbenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C11H15NO4S

Suppliers	Catalog Number
Enamine	EN300-09539

Database	Data ID
PubChem	2957658

M. W.

257.3061

CAS

Similarity

N/A

ID: 234468

2-(3-cyclopentylpropanamido)-4,5-dimethoxybenzoic acid

$$$$ Data

M. F.

C17H23NO5

Suppliers	Catalog Number
Enamine	EN300-09541

Database	Data ID
PubChem	3783105

M. W.

321.36822

CAS

Similarity

N/A

ID: 234469

2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

$$$$ Data

M. F.

C13H11NO3S2

Suppliers	Catalog Number
Enamine	EN300-09542

Database	Data ID
PubChem	741713

M. W.

293.36134

CAS

Similarity

N/A

ID: 234470

2-cyclohexaneamido-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

$$$$ Data

M. F.

C15H19NO3S

Suppliers	Catalog Number
Enamine	EN300-09543

Database	Data ID
PubChem	2507860

M. W.

293.38126

CAS

Similarity

N/A

ID: 234471

2-(2,2-dimethylpropanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

$$$$ Data

M. F.

C13H17NO3S

Suppliers	Catalog Number
Enamine	EN300-09544

Database	Data ID
PubChem	3764936

M. W.

267.34398

CAS

Similarity

N/A

ID: 234472

2-(furan-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

$$$$ Data

M. F.

C13H11NO4S

Suppliers	Catalog Number
Enamine	EN300-09545

Database	Data ID
PubChem	675359

M. W.

277.29574

CAS

Similarity

N/A

ID: 234473

3-bromo-5-ethoxy-4-hydroxybenzonitrile

$$$$ Data

M. F.

C9H8BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50607
Enamine	EN300-09546

Database	Data ID
PubChem	2063734

M. W.

242.06932

CAS

330462-57-2

Similarity

N/A

ID: 234474

1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-09547

Database	Data ID
PubChem	2104074

M. W.

222.2636

CAS

Similarity

N/A

ID: 234475

4-chloro-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxopentanenitrile

$$$$ Data

M. F.

C12H9ClN2OS

Suppliers	Catalog Number
Enamine	EN300-09548

Database	Data ID
PubChem	16226689

M. W.

264.73066

CAS

Similarity

N/A

ID: 234476

(2E)-3-{5-[(acetyloxy)methyl]furan-2-yl}prop-2-enoic acid

$$$$ Data

M. F.

C10H10O5

Suppliers	Catalog Number
Enamine	EN300-09549

Database	Data ID
PubChem	5931831

M. W.

210.1834

CAS

38898-02-1

Similarity

N/A

ID: 234477

ethyl 5-acetyl-2-[(3-chloroquinoxalin-2-yl)amino]-4-methylthiophene-3-carboxylat...

$$$$ Data

M. F.

C18H16ClN3O3S

Suppliers	Catalog Number
Enamine	EN300-09550

Database	Data ID
PubChem	1872315

M. W.

389.85594

CAS

Similarity

N/A

ID: 234478

4-(2-chloroacetamido)-N,N-dimethylbenzamide

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-09553

Database	Data ID
PubChem	2104083

M. W.

240.68612

CAS

Similarity

N/A

ID: 234479

[(3-ethoxy-4-propoxyphenyl)methyl](propyl)amine hydrochloride

$$$$ Data

M. F.

C15H26ClNO2

Suppliers	Catalog Number
Enamine	EN300-09554

Database	Data ID
PubChem	16243127

M. W.

287.82544

CAS

Similarity

N/A

ID: 234480

3-chloro-4-(difluoromethoxy)-5-methoxybenzaldehyde

$$$$ Data

M. F.

C9H7ClF2O3

Suppliers	Catalog Number
Enamine	EN300-09555

Database	Data ID
PubChem	2104077

M. W.

236.5998864

CAS

Similarity

N/A

ID: 234481

4-(2-cyanoacetamido)-N,N-dimethylbenzamide

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Enamine	EN300-09556

Database	Data ID
PubChem	2104076

M. W.

231.25052

CAS

Similarity

N/A

ID: 234482

4-amino-1-(butan-2-yl)-1,2,5,6-tetrahydropyrimidin-2-one

$$$$ Data

M. F.

C8H15N3O

Suppliers	Catalog Number
Enamine	EN300-09558

Database	Data ID
PubChem	3275309

M. W.

169.2242

CAS

Similarity

N/A

ID: 234483

1-(butan-2-yl)-1,3-diazinane-2,4-dione

$$$$ Data

M. F.

C8H14N2O2

Suppliers	Catalog Number
Enamine	EN300-09559

Database	Data ID
PubChem	4339588

M. W.

170.20896

CAS

Similarity

N/A

ID: 234484

(2E)-3-[1-benzyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

$$$$ Data

M. F.

C18H15N3O2

Suppliers	Catalog Number
Enamine	EN300-09560

Database	Data ID
PubChem	5940518

M. W.

305.3306

CAS

Similarity

N/A

ID: 234485

3-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C17H14N2O2

Suppliers	Catalog Number
Enamine	EN300-09561

Database	Data ID
PubChem	3473257

M. W.

278.30526

CAS

Similarity

N/A

ID: 234486

3-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C17H14N2O2

Suppliers	Catalog Number
Enamine	EN300-09562

Database	Data ID
PubChem	3766674

M. W.

278.30526

CAS

Similarity

N/A

ID: 234487

(6-methylheptan-2-yl)thiourea

$$$$ Data

M. F.

C9H20N2S

Suppliers	Catalog Number
Enamine	EN300-09563

Database	Data ID
PubChem	3868600

M. W.

188.3335

CAS

Similarity

N/A

ID: 234488

2-chloro-1-{2,5-dimethyl-1-[3-(methylsulfanyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one

$$$$ Data

M. F.

C15H16ClNOS

Suppliers	Catalog Number
Enamine	EN300-09565

Database	Data ID
PubChem	2104087

M. W.

293.81164

CAS

Similarity

N/A

ID: 234489

1-(2-chloroacetyl)-3-(3-methoxypropyl)urea

$$$$ Data

M. F.

C7H13ClN2O3

Suppliers	Catalog Number
Enamine	EN300-09567

Database	Data ID
PubChem	2110813

M. W.

208.64272

CAS

Similarity

N/A

ID: 234490

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

$$$$ Data

M. F.

C7H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-09568

Database	Data ID
PubChem	3800568

M. W.

192.64332

CAS

Similarity

N/A

ID: 234491

2-(piperidine-1-sulfonyl)benzoic acid

$$$$ Data

M. F.

C12H15NO4S

Suppliers	Catalog Number
Enamine	EN300-09569

Database	Data ID
PubChem	2110815

M. W.

269.3168

CAS

Similarity

N/A

ID: 234492

4-chloro-3-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C12H14ClNO5S

Suppliers	Catalog Number
Enamine	EN300-09571

Database	Data ID
PubChem	3847495

M. W.

319.76126

CAS

Similarity

N/A

ID: 234493

methyl 2-(4-methoxy-3-nitrobenzenesulfonamido)acetate

$$$$ Data

M. F.

C10H12N2O7S

Suppliers	Catalog Number
Enamine	EN300-09572

Database	Data ID
PubChem	3738430

M. W.

304.27648

CAS

Similarity

N/A

ID: 234494

2-(2-chloroacetamido)-N-(2-methylpropyl)benzamide

$$$$ Data

M. F.

C13H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-09573

Database	Data ID
PubChem	4583535

M. W.

268.73928

CAS

Similarity

N/A

ID: 234495

2,4-dichloro-5-[(pentan-2-yl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C12H15Cl2NO4S

Suppliers	Catalog Number
Enamine	EN300-09574

Database	Data ID
PubChem	5200025

M. W.

340.2228

CAS

Similarity

N/A

ID: 234496

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

$$$$ Data

M. F.

C13H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-09577

Database	Data ID
PubChem	2319445

M. W.

259.691

CAS

Similarity

N/A

ID: 234497

1-phenyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C19H18N2O2

Suppliers	Catalog Number
Enamine	EN300-09578

Database	Data ID
PubChem	3710502

M. W.

306.35842

CAS

Similarity

N/A

ID: 234498

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-(met...

$$$$ Data

M. F.

C15H27N5O3

Suppliers	Catalog Number
Enamine	EN300-09579

Database	Data ID
PubChem	2110810

M. W.

325.40658

CAS

Similarity

N/A

ID: 234499

2-chloro-N-{[(4-fluorophenyl)carbamoyl]methyl}acetamide

$$$$ Data

M. F.

C10H10ClFN2O2

Suppliers	Catalog Number
Enamine	EN300-09580

Database	Data ID
PubChem	2110808

M. W.

244.6500032

CAS

Similarity

N/A

ID: 234500

2-amino-N-(2-ethylphenyl)acetamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-09581

Database	Data ID
PubChem	16245612

M. W.

214.6919

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