Chembase list of 866358 unique molecular structures

5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Enamine	EN300-40918

Database	Data ID
PubChem	42948959

M. W.

205.21324

CAS

Similarity

N/A

ID: 258202

3-[4-(1-aminoethyl)phenyl]-1-phenylurea

$$$$ Data

M. F.

C15H17N3O

Suppliers	Catalog Number
Enamine	EN300-40919

Database	Data ID
PubChem	16795125

M. W.

255.31498

CAS

Similarity

N/A

ID: 258203

3-(1H-pyrazol-3-yl)piperidine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
ChemBridge	4045259 20762798
Enamine	EN300-40920

Database	Data ID
PubChem	42961301

M. W.

151.20892

CAS

51747-03-6

Similarity

N/A

ID: 258204

2-amino-4-(difluoromethoxy)-5-methoxybenzoic acid

$$$$ Data

M. F.

C9H9F2NO4

Suppliers	Catalog Number
Enamine	EN300-40922

Database	Data ID
PubChem	16228099

M. W.

233.1688664

CAS

Similarity

N/A

ID: 258205

4-[4-(azepane-1-sulfonyl)phenyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C15H19N3O2S2

Suppliers	Catalog Number
Enamine	EN300-40924

Database	Data ID
PubChem	8878294

M. W.

337.46026

CAS

Similarity

N/A

ID: 258206

4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H9FN2OS

Suppliers	Catalog Number
Enamine	EN300-40925

Database	Data ID
PubChem	3799990

M. W.

224.2546632

CAS

715-89-9

Similarity

N/A

ID: 258207

4-(chlorosulfonyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H3ClO4S2

Suppliers	Catalog Number
Enamine	EN300-40927

Database	Data ID
PubChem	12704281

M. W.

226.65792

CAS

Similarity

N/A

ID: 258208

methyl 3-[(chlorosulfonyl)methyl]furan-2-carboxylate

$$$$ Data

M. F.

C7H7ClO5S

Suppliers	Catalog Number
Enamine	EN300-40928

Database	Data ID
PubChem	43810745

M. W.

238.64548

CAS

Similarity

N/A

ID: 258209

[3-(pyrrolidine-1-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Enamine	EN300-40929

Database	Data ID
PubChem	16774756

M. W.

204.26824

CAS

Similarity

N/A

ID: 258210

3-(chlorosulfonyl)-4-ethylbenzoic acid

$$$$ Data

M. F.

C9H9ClO4S

Suppliers	Catalog Number
Enamine	EN300-40935

Database	Data ID
PubChem	288021

M. W.

248.68336

CAS

Similarity

N/A

ID: 258211

[1-(benzenesulfonyl)cyclopentyl]methanamine

$$$$ Data

M. F.

C12H17NO2S

Suppliers	Catalog Number
Enamine	EN300-40939

Database	Data ID
PubChem	39871991

M. W.

239.33388

CAS

Similarity

N/A

ID: 258212

2,4-difluoro-5-nitrobenzaldehyde

$$$$ Data

M. F.

C7H3F2NO3

Suppliers	Catalog Number
Enamine	EN300-40940

Database	Data ID
PubChem	39870440

M. W.

187.1004264

CAS

Similarity

N/A

ID: 258213

6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C16H12N2O3

Suppliers	Catalog Number
Enamine	EN300-40943

Database	Data ID
PubChem	16786537

M. W.

280.27808

CAS

Similarity

N/A

ID: 258214

1-amino-3-(3-fluorophenoxy)propan-2-ol

$$$$ Data

M. F.

C9H12FNO2

Suppliers	Catalog Number
Enamine	EN300-40944

Database	Data ID
PubChem	16784461

M. W.

185.1954832

CAS

Similarity

N/A

ID: 258215

6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic ac...

$$$$ Data

M. F.

C15H18N2O3

Suppliers	Catalog Number
Enamine	EN300-40945

Database	Data ID
PubChem	16788160

M. W.

274.31502

CAS

Similarity

N/A

ID: 258216

1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-40946

Database	Data ID
PubChem	42935498

M. W.

279.16294

CAS

Similarity

N/A

ID: 258217

2-(propane-2-sulfonyl)propanoic acid

$$$$ Data

M. F.

C6H12O4S

Suppliers	Catalog Number
Enamine	EN300-40947

Database	Data ID
PubChem	24692632

M. W.

180.22208

CAS

Similarity

N/A

ID: 258218

[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methanol

$$$$ Data

M. F.

C11H10ClFN2O

Suppliers	Catalog Number
Enamine	EN300-40948

Database	Data ID
PubChem	16770216

M. W.

240.6613032

CAS

Similarity

N/A

ID: 258219

4,5-dichloro-2-(3-chloro-4-methylphenyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C11H7Cl3N2O

Suppliers	Catalog Number
Enamine	EN300-40950

Database	Data ID
PubChem	16778802

M. W.

289.54508

CAS

Similarity

N/A

ID: 258220

3-(2-bromophenyl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C9H9BrClN3

Suppliers	Catalog Number
Enamine	EN300-40952

Database	Data ID
PubChem	16495460

M. W.

274.54486

CAS

Similarity

N/A

ID: 258221

{4-[(difluoromethyl)sulfanyl]phenyl}methanol

$$$$ Data

M. F.

C8H8F2OS

Suppliers	Catalog Number
Enamine	EN300-40955

Database	Data ID
PubChem	39870444

M. W.

190.2103264

CAS

Similarity

N/A

ID: 258222

(1-aminocyclohexyl)methanol hydrochloride

$$$$ Data

M. F.

C7H16ClNO

Suppliers	Catalog Number
Enamine	EN300-40958

Database	Data ID
PubChem	20211929

M. W.

165.66104

CAS

Similarity

N/A

ID: 258223

(1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C5H7ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-40959

Database	Data ID
PubChem	43423990

M. W.

205.5627896

CAS

Similarity

N/A

ID: 258224

tert-butyl 3,9-diazabicyclo[3.3.2]decane-9-carboxylate

$$$$ Data

M. F.

C13H24N2O2

Suppliers	Catalog Number
Enamine	EN300-40961

Database	Data ID
PubChem	43431234

M. W.

240.34186

CAS

Similarity

N/A

ID: 258225

3-(4-aminophenoxy)propanamide

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Enamine	EN300-40969

Database	Data ID
PubChem	39870446

M. W.

180.20378

CAS

Similarity

N/A

ID: 258226

[3-(pyridin-2-ylmethoxy)phenyl]methanamine

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Enamine	EN300-40970

Database	Data ID
PubChem	16774966

M. W.

214.26306

CAS

Similarity

N/A

ID: 258227

[(4-nitrophenyl)methyl]hydrazine hydrochloride

$$$$ Data

M. F.

C7H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-40971

Database	Data ID
PubChem	42943448

M. W.

203.6262

CAS

Similarity

N/A

ID: 258228

5-(2-chlorobenzamido)-3-methylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C13H10ClNO3S

Suppliers	Catalog Number
Enamine	EN300-40972

Database	Data ID
PubChem	16775795

M. W.

295.7414

CAS

Similarity

N/A

ID: 258229

6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C13H14N2O3

Suppliers	Catalog Number
Enamine	EN300-40973

Database	Data ID
PubChem	16781908

M. W.

246.26186

CAS

Similarity

N/A

ID: 258230

1-(2-chlorophenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C9H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-40974

Database	Data ID
PubChem	20027460

M. W.

206.11222

CAS

Similarity

N/A

ID: 258231

1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C6H5F3N2O2

Suppliers	Catalog Number
Enamine	EN300-40975

Database	Data ID
PubChem	2807771

M. W.

194.1113096

CAS

119083-00-0

Similarity

N/A

ID: 258232

5-methyl-5-propylimidazolidine-2,4-dione

$$$$ Data

M. F.

C7H12N2O2

Suppliers	Catalog Number
Enamine	EN300-40976

Database	Data ID
PubChem	229527

M. W.

156.18238

CAS

Similarity

N/A

ID: 258233

2-{methyl[(3-nitrophenyl)carbamoyl]amino}acetic acid

$$$$ Data

M. F.

C10H11N3O5

Suppliers	Catalog Number
Enamine	EN300-40980

Database	Data ID
PubChem	29788937

M. W.

253.21144

CAS

Similarity

N/A

ID: 258234

5,7-dimethyl-2H,3H,4H-6,1λ⁶,2,3-furo[3,4-e][1λ⁶,2,3]thia...

$$$$ Data

M. F.

C7H8N2O4S

Suppliers	Catalog Number
Enamine	EN300-40986

Database	Data ID
PubChem	39870449

M. W.

216.21442

CAS

Similarity

N/A

ID: 258235

6-cyclopropyl-3-(furan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C14H10N2O4

Suppliers	Catalog Number
Enamine	EN300-40990

Database	Data ID
PubChem	16782819

M. W.

270.2402

CAS

Similarity

N/A

ID: 258236

6-cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C13H14N2O3

Suppliers	Catalog Number
Enamine	EN300-40991

Database	Data ID
PubChem	16443415

M. W.

246.26186

CAS

Similarity

N/A

ID: 258237

ethyl 2-[(prop-2-en-1-yl)amino]acetate

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
Enamine	EN300-40992

Database	Data ID
PubChem	10975597

M. W.

143.18362

CAS

Similarity

N/A

ID: 258238

2-(acetyloxy)-5-methylbenzoic acid

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Enamine	EN300-40993

Database	Data ID
PubChem	23251958

M. W.

194.184

CAS

Similarity

N/A

ID: 258239

2-amino-2-[4-(trifluoromethyl)phenyl]propanoic acid hydrochloride

$$$$ Data

M. F.

C10H11ClF3NO2

Suppliers	Catalog Number
Enamine	EN300-40995

Database	Data ID
PubChem	43810746

M. W.

269.6480496

CAS

Similarity

N/A

ID: 258240

methyl 2-(4-aminophenoxy)acetate

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
ChemBridge	7315349
Enamine	EN300-40996

Database	Data ID
PubChem	6422115

M. W.

181.18854

CAS

59954-04-0

Similarity

N/A

ID: 258241

2-amino-2-[4-(2-methylpropyl)phenyl]propanoic acid hydrochloride

$$$$ Data

M. F.

C13H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-40997

Database	Data ID
PubChem	43810747

M. W.

257.7564

CAS

Similarity

N/A

ID: 258242

2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholine

$$$$ Data

M. F.

C11H15N3O3

Suppliers	Catalog Number
Enamine	EN300-41000

Database	Data ID
PubChem	2803164

M. W.

237.2551

CAS

Similarity

N/A

ID: 258243

1-[2-(phenylsulfanyl)ethyl]piperazine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2S

Suppliers	Catalog Number
Enamine	EN300-41001

Database	Data ID
PubChem	42961317

M. W.

295.2716

CAS

Similarity

N/A

ID: 258244

5-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C11H12N2S

Suppliers	Catalog Number
Enamine	EN300-41003

Database	Data ID
PubChem	16770159

M. W.

204.29138

CAS

Similarity

N/A

ID: 258245

4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C12H8F3N3S

Suppliers	Catalog Number
Enamine	EN300-41004

Database	Data ID
PubChem	16778535

M. W.

283.2722296

CAS

Similarity

N/A

ID: 258246

5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H7F3N2S

Suppliers	Catalog Number
Enamine	EN300-41005

Database	Data ID
PubChem	16769708

M. W.

244.2361896

CAS

Similarity

N/A

ID: 258247

(2E)-1-(piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C11H14N2OS

Suppliers	Catalog Number
Enamine	EN300-41011

Database	Data ID
PubChem	13100396

M. W.

222.30666

CAS

Similarity

N/A

ID: 258248

2,2-dimethyl-2H-1,3-benzodioxol-5-amine

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-41013

Database	Data ID
PubChem	233317

M. W.

165.18914

CAS

6324-89-6

Similarity

N/A

ID: 258249

3-(methoxymethyl)benzonitrile

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Enamine	EN300-41016

Database	Data ID
PubChem	10820696

M. W.

147.17386

CAS

Similarity

N/A

ID: 258250

6-(2,2,2-trifluoroethoxy)pyridin-3-amine

$$$$ Data

M. F.

C7H7F3N2O

Suppliers	Catalog Number
Enamine	EN300-41019
Bide Pharmatech	BD224555
A&J Pharmtech	AJA-O13481 AJA-O13653 AJA-O9989 (more...)

Database	Data ID
PubChem	543156

M. W.

192.1384896

CAS

57946-61-9

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