Chembase list of 866358 unique molecular structures

5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C5H3ClN4

Suppliers	Catalog Number
Enamine	EN300-88932

Database	Data ID
PubChem	21766613

M. W.

154.55712

CAS

Similarity

N/A

ID: 281502

methyl 5-bromo-4-(chlorosulfonyl)furan-2-carboxylate

$$$$ Data

M. F.

C6H4BrClO5S

Suppliers	Catalog Number
Enamine	EN300-88933

Database	Data ID
PubChem	45792634

M. W.

303.51496

CAS

Similarity

N/A

ID: 281503

methyl 4-(chlorosulfonyl)-5-methylfuran-2-carboxylate

$$$$ Data

M. F.

C7H7ClO5S

Suppliers	Catalog Number
Enamine	EN300-88934

Database	Data ID
PubChem	13090074

M. W.

238.64548

CAS

Similarity

N/A

ID: 281504

3-methyl-1,1-dioxo-2H-1λ⁶,2,4-benzothiadiazine-7-carboxylic acid

$$$$ Data

M. F.

C9H8N2O4S

Suppliers	Catalog Number
Enamine	EN300-88936

Database	Data ID
PubChem	45792638

M. W.

240.23582

CAS

Similarity

N/A

ID: 281505

3-propoxybenzene-1-carbothioamide

$$$$ Data

M. F.

C10H13NOS

Suppliers	Catalog Number
Enamine	EN300-88937

Database	Data ID
PubChem	7745243

M. W.

195.28132

CAS

Similarity

N/A

ID: 281506

1,1-dioxo-2H,3H,5H-1λ⁶,5-[1λ⁶]thieno[2,3-c]pyrrole-4-sul...

$$$$ Data

M. F.

C6H6ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-88939

Database	Data ID
PubChem	45792640

M. W.

255.69914

CAS

Similarity

N/A

ID: 281507

4-bromo-2H,3H,5H-1λ⁶,5-[1λ⁶]thieno[2,3-c]pyrrole-1,1-dio...

$$$$ Data

M. F.

C6H6BrNO2S

Suppliers	Catalog Number
Enamine	EN300-88940

Database	Data ID
PubChem	45792641

M. W.

236.08634

CAS

Similarity

N/A

ID: 281508

4-methanesulfonyl-1H-pyrrole-2-sulfonyl chloride

$$$$ Data

M. F.

C5H6ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-88941

Database	Data ID
PubChem	45792642

M. W.

243.68844

CAS

Similarity

N/A

ID: 281509

2-bromo-4-methanesulfonyl-1H-pyrrole

$$$$ Data

M. F.

C5H6BrNO2S

Suppliers	Catalog Number
Enamine	EN300-88942

Database	Data ID
PubChem	45792643

M. W.

224.07564

CAS

Similarity

N/A

ID: 281510

ethyl 4-(trifluoromethyl)pyrrolidine-3-carboxylate

$$$$ Data

M. F.

C8H12F3NO2

Suppliers	Catalog Number
Enamine	EN300-88943

Database	Data ID
PubChem	45792645

M. W.

211.1815896

CAS

Similarity

N/A

ID: 281511

1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H14F3NO2

Suppliers	Catalog Number
Enamine	EN300-88944

Database	Data ID
PubChem	19691386

M. W.

273.2509696

CAS

Similarity

N/A

ID: 281512

5-[4-(aminomethyl)phenyl]-1,2,4-triazin-3-amine

$$$$ Data

M. F.

C10H11N5

Suppliers	Catalog Number
Enamine	EN300-88945

Database	Data ID
PubChem	45792648

M. W.

201.22784

CAS

Similarity

N/A

ID: 281513

4-(3-amino-1,2,4-triazin-5-yl)benzene-1-carbothioamide

$$$$ Data

M. F.

C10H9N5S

Suppliers	Catalog Number
Enamine	EN300-88946

Database	Data ID
PubChem	45792649

M. W.

231.27696

CAS

Similarity

N/A

ID: 281514

ethyl 2-[(2-carbamothioylethyl)(phenyl)amino]acetate

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-88947

Database	Data ID
PubChem	24702026

M. W.

266.35922

CAS

Similarity

N/A

ID: 281515

3-bromopyridine-2-sulfonyl chloride

$$$$ Data

M. F.

C5H3BrClNO2S

Suppliers	Catalog Number
Enamine	EN300-88948

Database	Data ID
PubChem	45792650

M. W.

256.50482

CAS

Similarity

N/A

ID: 281516

2-(2-ethyl-1,3-thiazol-4-yl)ethanethioamide

$$$$ Data

M. F.

C7H10N2S2

Suppliers	Catalog Number
Enamine	EN300-88949

Database	Data ID
PubChem	45792651

M. W.

186.2977

CAS

Similarity

N/A

ID: 281517

1-(1-tert-butyl-3-methyl-1H-pyrazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C10H19N3

Suppliers	Catalog Number
Enamine	EN300-88950

Database	Data ID
PubChem	45792652

M. W.

181.27796

CAS

Similarity

N/A

ID: 281518

3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzene-1-carbothioamide

$$$$ Data

M. F.

C11H11N3OS

Suppliers	Catalog Number
Enamine	EN300-88951

Database	Data ID
PubChem	45792654

M. W.

233.28954

CAS

Similarity

N/A

ID: 281519

7,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-amine

$$$$ Data

M. F.

C9H9Cl2NO

Suppliers	Catalog Number
Enamine	EN300-88952
A&J Pharmtech	AJA-O26902

Database	Data ID
PubChem	43155020

M. W.

218.07986

CAS

886762-88-5

Similarity

N/A

ID: 281520

1-(4-bromophenyl)-2-(pyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C13H13BrN2

Suppliers	Catalog Number
Enamine	EN300-88953

Database	Data ID
PubChem	43118882

M. W.

277.15972

CAS

Similarity

N/A

ID: 281521

2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]ethan-1-amine

$$$$ Data

M. F.

C10H11N3S

Suppliers	Catalog Number
Enamine	EN300-88954

Database	Data ID
PubChem	6917192

M. W.

205.27944

CAS

Similarity

N/A

ID: 281522

2-(1H-imidazol-2-yl)-1-(3-methylphenyl)ethan-1-amine

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Enamine	EN300-88955

Database	Data ID
PubChem	43162902

M. W.

201.2676

CAS

Similarity

N/A

ID: 281523

3-chloro-6-methyl-4-(1-methyl-1H-imidazol-2-yl)pyridazine

$$$$ Data

M. F.

C9H9ClN4

Suppliers	Catalog Number
Enamine	EN300-88956

Database	Data ID
PubChem	45792655

M. W.

208.64756

CAS

Similarity

N/A

ID: 281524

7-cyclopropyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

$$$$ Data

M. F.

C9H13N3O2

Suppliers	Catalog Number
Enamine	EN300-88957

Database	Data ID
PubChem	45792656

M. W.

195.21842

CAS

Similarity

N/A

ID: 281525

1,1-dioxo-3-phenyl-4H-1λ⁶,2,4-benzothiadiazine-7-carboxylic acid

$$$$ Data

M. F.

C14H10N2O4S

Suppliers	Catalog Number
Enamine	EN300-88958

Database	Data ID
PubChem	45792657

M. W.

302.3052

CAS

Similarity

N/A

ID: 281526

1,3,3-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

$$$$ Data

M. F.

C11H18O2

Suppliers	Catalog Number
Enamine	EN300-88959

Database	Data ID
PubChem	17923976

M. W.

182.25942

CAS

Similarity

N/A

ID: 281527

{1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}methanamine

$$$$ Data

M. F.

C11H21N

Suppliers	Catalog Number
Enamine	EN300-88960

Database	Data ID
PubChem	45792658

M. W.

167.29114

CAS

Similarity

N/A

ID: 281528

5-amino-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C13H9N3O2

Suppliers	Catalog Number
Enamine	EN300-88961

Database	Data ID
PubChem	28773210

M. W.

239.22946

CAS

Similarity

N/A

ID: 281529

3-(oxolan-2-ylmethoxy)propanethioamide

$$$$ Data

M. F.

C8H15NO2S

Suppliers	Catalog Number
Enamine	EN300-88963

Database	Data ID
PubChem	24694290

M. W.

189.2752

CAS

Similarity

N/A

ID: 281530

2-(3,5-difluorophenyl)ethanethioamide

$$$$ Data

M. F.

C8H7F2NS

Suppliers	Catalog Number
Enamine	EN300-88964

Database	Data ID
PubChem	45792659

M. W.

187.2096864

CAS

Similarity

N/A

ID: 281531

[6-methyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-88965

Database	Data ID
PubChem	45792660

M. W.

191.27278

CAS

Similarity

N/A

ID: 281532

(2,4-dimethoxyphenyl)(phenyl)methanamine

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Enamine	EN300-88966

Database	Data ID
PubChem	129720

M. W.

243.30098

CAS

Similarity

N/A

ID: 281533

1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C13H17N3

Suppliers	Catalog Number
Enamine	EN300-88967

Database	Data ID
PubChem	45792661

M. W.

215.29418

CAS

Similarity

N/A

ID: 281534

2-chloro-6-(thiophen-2-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H5ClN2S

Suppliers	Catalog Number
Enamine	EN300-88968

Database	Data ID
PubChem	16740650

M. W.

220.6781

CAS

Similarity

N/A

ID: 281535

2-(6-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid

$$$$ Data

M. F.

C11H8O5

Suppliers	Catalog Number
Enamine	EN300-88969

Database	Data ID
PubChem	12464735

M. W.

220.17822

CAS

Similarity

N/A

ID: 281536

ethyl 2-(carbamothioylmethyl)-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C8H10N2O2S2

Suppliers	Catalog Number
Enamine	EN300-88970

Database	Data ID
PubChem	45792662

M. W.

230.3072

CAS

Similarity

N/A

ID: 281537

2-chloro-6-(pyridin-2-yl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C11H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-88972

Database	Data ID
PubChem	45792663

M. W.

234.63848

CAS

Similarity

N/A

ID: 281538

2-chloro-6-(pyridin-4-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H6ClN3

Suppliers	Catalog Number
Enamine	EN300-88973

Database	Data ID
PubChem	12344276

M. W.

215.63844

CAS

Similarity

N/A

ID: 281539

2-(3-chloro-6-methylpyridazin-4-yl)-1-methyl-1H-1,3-benzodiazole

$$$$ Data

M. F.

C13H11ClN4

Suppliers	Catalog Number
Enamine	EN300-88974

Database	Data ID
PubChem	45792664

M. W.

258.70624

CAS

Similarity

N/A

ID: 281540

2-phenyl-2-(1H-pyrazol-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-88975

Database	Data ID
PubChem	45792667

M. W.

187.24102

CAS

Similarity

N/A

ID: 281541

3-(piperidin-4-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-88976

Database	Data ID
PubChem	45792668

M. W.

166.22356

CAS

Similarity

N/A

ID: 281542

1,3,7-triazaspiro[4.5]decane-2,4-dione

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
Enamine	EN300-88977

Database	Data ID
PubChem	12652263

M. W.

169.18114

CAS

Similarity

N/A

ID: 281543

9-(propan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one

$$$$ Data

M. F.

C11H19NO

Suppliers	Catalog Number
Enamine	EN300-88978

Database	Data ID
PubChem	21677673

M. W.

181.27466

CAS

Similarity

N/A

ID: 281544

9-propyl-9-azabicyclo[3.3.1]nonan-3-one

$$$$ Data

M. F.

C11H19NO

Suppliers	Catalog Number
Enamine	EN300-88979

Database	Data ID
PubChem	45792669

M. W.

181.27466

CAS

Similarity

N/A

ID: 281545

9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-one

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Enamine	EN300-88980

Database	Data ID
PubChem	45792670

M. W.

179.25878

CAS

Similarity

N/A

ID: 281546

9-(cyclopropylmethyl)-9-azabicyclo[3.3.1]nonan-3-one

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-88981

Database	Data ID
PubChem	45792671

M. W.

193.28536

CAS

Similarity

N/A

ID: 281547

7,8-dimethylquinolin-5-amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Enamine	EN300-88982

Database	Data ID
PubChem	54595424

M. W.

172.22638

CAS

Similarity

N/A

ID: 281548

8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Enamine	EN300-88983

Database	Data ID
PubChem	103009

M. W.

167.24808

CAS

Similarity

N/A

ID: 281549

8-propyl-8-azabicyclo[3.2.1]octan-3-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Enamine	EN300-88984

Database	Data ID
PubChem	23383579

M. W.

167.24808

CAS

Similarity

N/A

ID: 281550

8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-one

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-88985

Database	Data ID
PubChem	20482473

M. W.

165.2322

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