Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Enamine	EN300-79664

Database	Data ID
PubChem	3031383

M. W.

166.22026

CAS

Similarity

N/A

ID: 276102

3-phenyl-1λ⁴,4-thiomorpholin-1-one

$$$$ Data

M. F.

C10H13NOS

Suppliers	Catalog Number
Enamine	EN300-79665

Database	Data ID
PubChem	54594007

M. W.

195.28132

CAS

Similarity

N/A

ID: 276103

N,6-dimethylpyridin-2-amine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Enamine	EN300-79666
A&J Pharmtech	AJA-O18773

Database	Data ID
PubChem	3839092

M. W.

122.1677

CAS

97986-08-8

Similarity

N/A

ID: 276104

(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid

$$$$ Data

M. F.

C10H13BO3

Suppliers	Catalog Number
Enamine	EN300-79668
A&J Pharmtech	AJA-O28836

Database	Data ID
PubChem	23005350

M. W.

192.01942

CAS

Similarity

N/A

ID: 276105

3-(methanesulfinylmethyl)-2-methylaniline

$$$$ Data

M. F.

C9H13NOS

Suppliers	Catalog Number
Enamine	EN300-79669

Database	Data ID
PubChem	54594008

M. W.

183.27062

CAS

Similarity

N/A

ID: 276106

[3-methyl-4-(oxolan-3-yloxy)phenyl]boronic acid

$$$$ Data

M. F.

C11H15BO4

Suppliers	Catalog Number
Enamine	EN300-79670

Database	Data ID
PubChem	54594009

M. W.

222.0454

CAS

Similarity

N/A

ID: 276107

[4-(oxolan-3-yloxy)phenyl]boronic acid

$$$$ Data

M. F.

C10H13BO4

Suppliers	Catalog Number
Enamine	EN300-79671

Database	Data ID
PubChem	54594010

M. W.

208.01882

CAS

Similarity

N/A

ID: 276108

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid

$$$$ Data

M. F.

C9H11BO3

Suppliers	Catalog Number
ChemBridge	4035347
Enamine	EN300-79672

Database	Data ID
PubChem	43297227

M. W.

177.99284

CAS

1028748-11-9

Similarity

N/A

ID: 276109

N-(3-amino-2-methylphenyl)benzenesulfonamide

$$$$ Data

M. F.

C13H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-79673

Database	Data ID
PubChem	16775361

M. W.

262.32746

CAS

Similarity

N/A

ID: 276110

3-phenyl-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C10H13NO2S

Suppliers	Catalog Number
Enamine	EN300-79674

Database	Data ID
PubChem	15665926

M. W.

211.28072

CAS

Similarity

N/A

ID: 276111

bis(2-[2-(morpholin-4-yl)ethyl]guanidine); sulfuric acid

$$$$ Data

M. F.

C14H34N8O6S

Suppliers	Catalog Number
Enamine	EN300-79677

Database	Data ID
PubChem	54594011

M. W.

442.53476

CAS

Similarity

N/A

ID: 276112

1-(2H-1,2,3,4-tetrazol-5-yl)cyclopentan-1-amine

$$$$ Data

M. F.

C6H11N5

Suppliers	Catalog Number
Enamine	EN300-79679

Database	Data ID
PubChem	54594012

M. W.

153.18504

CAS

Similarity

N/A

ID: 276113

1-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,4-diazepane dihydrochloride

$$$$ Data

M. F.

C11H22Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-79681

Database	Data ID
PubChem	54594013

M. W.

297.22458

CAS

Similarity

N/A

ID: 276114

2-(2-fluorophenyl)ethanethioamide

$$$$ Data

M. F.

C8H8FNS

Suppliers	Catalog Number
Enamine	EN300-79682

Database	Data ID
PubChem	20121176

M. W.

169.2192232

CAS

Similarity

N/A

ID: 276115

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane dihydrochloride

$$$$ Data

M. F.

C11H20Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-79683

Database	Data ID
PubChem	54594015

M. W.

295.2087

CAS

Similarity

N/A

ID: 276116

2-(3-hydroxyphenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Enamine	EN300-79685

Database	Data ID
PubChem	21901117

M. W.

178.1846

CAS

Similarity

N/A

ID: 276117

5-chloro-7-methyl-1,3-benzoxazole-2-thiol

$$$$ Data

M. F.

C8H6ClNOS

Suppliers	Catalog Number
Enamine	EN300-79686

Database	Data ID
PubChem	10608073

M. W.

199.65734

CAS

Similarity

N/A

ID: 276118

4-bromo-5-formyl-1-methyl-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Enamine	EN300-79687

Database	Data ID
PubChem	9454255

M. W.

232.03144

CAS

Similarity

N/A

ID: 276119

5-(1-chloroethyl)-3-ethyl-4,5-dihydro-1,2-oxazole

$$$$ Data

M. F.

C7H12ClNO

Suppliers	Catalog Number
Enamine	EN300-79689

Database	Data ID
PubChem	54594016

M. W.

161.62928

CAS

Similarity

N/A

ID: 276120

methyl 2-[(6-methylpyridin-2-yl)amino]acetate

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Enamine	EN300-79690

Database	Data ID
PubChem	54594017

M. W.

180.20378

CAS

Similarity

N/A

ID: 276121

[5-(propan-2-yl)-1,3-oxazol-2-yl]methanamine

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Enamine	EN300-79691

Database	Data ID
PubChem	54594018

M. W.

140.18298

CAS

Similarity

N/A

ID: 276122

pentafluorophenyl 2-chloroacetate

$$$$ Data

M. F.

C8H2ClF5O2

Suppliers	Catalog Number
Enamine	EN300-79695

Database	Data ID
PubChem	54594019

M. W.

260.545296

CAS

Similarity

N/A

ID: 276123

2-methanesulfonylbenzene-1-thiol

$$$$ Data

M. F.

C7H8O2S2

Suppliers	Catalog Number
Enamine	EN300-79698

Database	Data ID
PubChem	18512503

M. W.

188.26722

CAS

Similarity

N/A

ID: 276124

3-(4-fluorophenyl)-3-methylbutan-2-one

$$$$ Data

M. F.

C11H13FO

Suppliers	Catalog Number
Enamine	EN300-79700

Database	Data ID
PubChem	19825870

M. W.

180.2187232

CAS

Similarity

N/A

ID: 276125

1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-one

$$$$ Data

M. F.

C9H8F2OS

Suppliers	Catalog Number
Enamine	EN300-79703

Database	Data ID
PubChem	12077332

M. W.

202.2210264

CAS

Similarity

N/A

ID: 276126

4-hydroxy-N-(2-hydroxyethyl)benzamide

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-79704

Database	Data ID
PubChem	156588

M. W.

181.18854

CAS

Similarity

N/A

ID: 276127

2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid hydrochloride

$$$$ Data

M. F.

C14H21ClN2O3

Suppliers	Catalog Number
Enamine	EN300-79705

Database	Data ID
PubChem	53530141

M. W.

300.78114

CAS

Similarity

N/A

ID: 276128

2-methyl-3-[(methylsulfanyl)methyl]aniline

$$$$ Data

M. F.

C9H13NS

Suppliers	Catalog Number
Enamine	EN300-79706

Database	Data ID
PubChem	54594020

M. W.

167.27122

CAS

Similarity

N/A

ID: 276129

4-chloro-3-(methanesulfonylmethyl)aniline

$$$$ Data

M. F.

C8H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-79707

Database	Data ID
PubChem	54594021

M. W.

219.6885

CAS

Similarity

N/A

ID: 276130

methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Enamine	EN300-79708

Database	Data ID
PubChem	43509539

M. W.

187.23618

CAS

Similarity

N/A

ID: 276131

3-(methanesulfonylmethyl)-2-methylaniline

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-79709

Database	Data ID
PubChem	54594022

M. W.

199.27002

CAS

Similarity

N/A

ID: 276132

2-iodo-4-methyl-1,3-thiazole

$$$$ Data

M. F.

C4H4INS

Suppliers	Catalog Number
Enamine	EN300-79710

Database	Data ID
PubChem	23154594

M. W.

225.05073

CAS

Similarity

N/A

ID: 276133

1H-[1,2,3]triazolo[4,5-c]pyridine

$$$$ Data

M. F.

C5H4N4

Suppliers	Catalog Number
Enamine	EN300-79715

Database	Data ID
PubChem	136084

M. W.

120.11206

CAS

Similarity

N/A

ID: 276134

1-(2-aminothiophen-3-yl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C9H13NOS

Suppliers	Catalog Number
Enamine	EN300-79717

Database	Data ID
PubChem	2756560

M. W.

183.27062

CAS

Similarity

N/A

ID: 276135

6-aminoheptanoic acid hydrochloride

$$$$ Data

M. F.

C7H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-79718

Database	Data ID
PubChem	17802674

M. W.

181.66044

CAS

Similarity

N/A

ID: 276136

3-chloro-4-[2-(dimethylamino)ethoxy]aniline

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-79719

Database	Data ID
PubChem	16787163

M. W.

214.6919

CAS

Similarity

N/A

ID: 276137

(2-tert-butyloxolan-3-yl)methanamine

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Enamine	EN300-79720

Database	Data ID
PubChem	54594023

M. W.

157.25326

CAS

Similarity

N/A

ID: 276138

ethenesulfonamide

$$$$ Data

M. F.

C2H5NO2S

Suppliers	Catalog Number
Enamine	EN300-79721

Database	Data ID
PubChem	520075

M. W.

107.1316

CAS

Similarity

N/A

ID: 276139

3-{[(2-methoxyethyl)sulfanyl]methyl}aniline

$$$$ Data

M. F.

C10H15NOS

Suppliers	Catalog Number
Enamine	EN300-79722

Database	Data ID
PubChem	43445996

M. W.

197.2972

CAS

Similarity

N/A

ID: 276140

5-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione

$$$$ Data

M. F.

C14H18N2O2

Suppliers	Catalog Number
Enamine	EN300-79723

Database	Data ID
PubChem	16781450

M. W.

246.30492

CAS

Similarity

N/A

ID: 276141

2-(4-phenoxybenzamido)benzoic acid

$$$$ Data

M. F.

C20H15NO4

Suppliers	Catalog Number
Enamine	EN300-79724

Database	Data ID
PubChem	891473

M. W.

333.3374

CAS

Similarity

N/A

ID: 276142

2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C17H17NO5

Suppliers	Catalog Number
Enamine	EN300-79725

Database	Data ID
PubChem	98199

M. W.

315.32058

CAS

Similarity

N/A

ID: 276143

methyl 2-(2-methanesulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

$$$$ Data

M. F.

C13H17NO4S

Suppliers	Catalog Number
Enamine	EN300-79726

Database	Data ID
PubChem	54594024

M. W.

283.34338

CAS

Similarity

N/A

ID: 276144

2-cyclohexylazepane

$$$$ Data

M. F.

C12H23N

Suppliers	Catalog Number
Enamine	EN300-79727

Database	Data ID
PubChem	3595929

M. W.

181.31772

CAS

Similarity

N/A

ID: 276145

[2-(4-chlorophenyl)ethyl](cyclopropylmethyl)amine

$$$$ Data

M. F.

C12H16ClN

Suppliers	Catalog Number
Enamine	EN300-79733

Database	Data ID
PubChem	43654887

M. W.

209.71514

CAS

Similarity

N/A

ID: 276146

2-(thiophen-2-yl)propan-2-amine

$$$$ Data

M. F.

C7H11NS

Suppliers	Catalog Number
Enamine	EN300-79734
Bide Pharmatech	BD227275

Database	Data ID
PubChem	45099

M. W.

141.23394

CAS

81289-15-8

Similarity

N/A

ID: 276147

2-chloro-6-(trifluoromethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C7H5ClF3NO2S

Suppliers	Catalog Number
Enamine	EN300-79735

Database	Data ID
PubChem	43363673

M. W.

259.6333096

CAS

Similarity

N/A

ID: 276148

7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine

$$$$ Data

M. F.

C6H5BrN4

Suppliers	Catalog Number
Enamine	EN300-79736
Bide Pharmatech	BD163917

Database	Data ID
PubChem	54594025

M. W.

213.0347

CAS

882521-63-3

Similarity

N/A

ID: 276149

7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Enamine	EN300-79738

Database	Data ID
PubChem	46864070

M. W.

168.5837

CAS

Similarity

N/A

ID: 276150

7-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

$$$$ Data

M. F.

C6H3Cl2N3O2S

Suppliers	Catalog Number
Enamine	EN300-79739

Database	Data ID
PubChem	54594026

M. W.

252.07792

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