Chembase list of 866358 unique molecular structures

ID: 262001

tert-butyl N-{[(E)-N'-hydroxycarbamimidoyl](4-methoxyphenyl)methyl}carbamate

$$$$ Data

M. F.

C14H21N3O4

Suppliers	Catalog Number
Enamine	EN300-52023

Database	Data ID
PubChem	45791953

M. W.

295.33424

CAS

Similarity

N/A

ID: 262002

tert-butyl N-{1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutyl}carbamate

$$$$ Data

M. F.

C11H23N3O3

Suppliers	Catalog Number
Enamine	EN300-52024

Database	Data ID
PubChem	45791954

M. W.

245.31862

CAS

Similarity

N/A

ID: 262003

3-(3,5-dimethylphenyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Enamine	EN300-52025

Database	Data ID
PubChem	14221900

M. W.

173.21114

CAS

Similarity

N/A

ID: 262004

1-ethyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-52028

Database	Data ID
PubChem	14384884

M. W.

189.21054

CAS

Similarity

N/A

ID: 262005

(Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N'-hydroxyethenimidamide

$$$$ Data

M. F.

C12H17ClN4O

Suppliers	Catalog Number
Enamine	EN300-52030

Database	Data ID
PubChem	24692408

M. W.

268.74258

CAS

Similarity

N/A

ID: 262006

7-bromo-3-methyl-4H-1λ⁶,2,4-benzothiadiazine-1,1-dione

$$$$ Data

M. F.

C8H7BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-52031

Database	Data ID
PubChem	23273968

M. W.

275.12238

CAS

Similarity

N/A

ID: 262007

2-(1-bromoethyl)naphthalene

$$$$ Data

M. F.

C12H11Br

Suppliers	Catalog Number
Enamine	EN300-52032

Database	Data ID
PubChem	18678254

M. W.

235.11974

CAS

Similarity

N/A

ID: 262008

2-(4-methylphenyl)-1,3-thiazole-4-carbaldehyde

$$$$ Data

M. F.

C11H9NOS

Suppliers	Catalog Number
Enamine	EN300-52033

Database	Data ID
PubChem	14023571

M. W.

203.26026

CAS

Similarity

N/A

ID: 262009

2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride

$$$$ Data

M. F.

C8H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-52035

Database	Data ID
PubChem	45791955

M. W.

208.68578

CAS

Similarity

N/A

ID: 262010

5-chlorothiophene-2-carbothioamide

$$$$ Data

M. F.

C5H4ClNS2

Suppliers	Catalog Number
Enamine	EN300-52036

Database	Data ID
PubChem	15076240

M. W.

177.67496

CAS

Similarity

N/A

ID: 262011

2-ethoxybenzene-1-carbothioamide

$$$$ Data

M. F.

C9H11NOS

Suppliers	Catalog Number
Alfa Aesar	H33353
Enamine	EN300-52037

Database	Data ID
PubChem	7745241

M. W.

181.25474

CAS

725702-35-2

Similarity

N/A

ID: 262012

5-(thiophen-3-yl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C6H5N3S2

Suppliers	Catalog Number
Enamine	EN300-52038

Database	Data ID
PubChem	14091161

M. W.

183.254

CAS

Similarity

N/A

ID: 262013

2-[(3,4-difluorophenyl)formamido]acetic acid

$$$$ Data

M. F.

C9H7F2NO3

Suppliers	Catalog Number
Enamine	EN300-52039

Database	Data ID
PubChem	705141

M. W.

215.1535864

CAS

Similarity

N/A

ID: 262014

4-(trifluoromethyl)piperidin-4-ol hydrochloride

$$$$ Data

M. F.

C6H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-52040

Database	Data ID
PubChem	45489901

M. W.

205.6058496

CAS

Similarity

N/A

ID: 262015

1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
ChemBridge	4025356
Enamine	EN300-52041

Database	Data ID
PubChem	24693890

M. W.

168.19308

CAS

1099772-09-4

Similarity

N/A

ID: 262016

1-(2-aminopropoxy)-4-fluorobenzene hydrochloride

$$$$ Data

M. F.

C9H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-52043

Database	Data ID
PubChem	45791956

M. W.

205.6570232

CAS

Similarity

N/A

ID: 262017

2-(pyrimidin-2-ylsulfanyl)propanoic acid

$$$$ Data

M. F.

C7H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-52044

Database	Data ID
PubChem	23535283

M. W.

184.21562

CAS

Similarity

N/A

ID: 262018

4-methyl-1-(piperazin-1-yl)pentan-1-one

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Enamine	EN300-52046

Database	Data ID
PubChem	20596588

M. W.

184.2786

CAS

Similarity

N/A

ID: 262019

N-(2-aminoethyl)-4-bromobenzamide

$$$$ Data

M. F.

C9H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-52047

Database	Data ID
PubChem	10847785

M. W.

243.10044

CAS

Similarity

N/A

ID: 262020

2-(2-ethoxyethoxy)propanoic acid

$$$$ Data

M. F.

C7H14O4

Suppliers	Catalog Number
Enamine	EN300-52048

Database	Data ID
PubChem	6328572

M. W.

162.18366

CAS

Similarity

N/A

ID: 262021

1-(1-bromoethyl)-3-fluorobenzene

$$$$ Data

M. F.

C8H8BrF

Suppliers	Catalog Number
Enamine	EN300-52049

Database	Data ID
PubChem	15680231

M. W.

203.0515232

CAS

Similarity

N/A

ID: 262022

4-(1-bromoethyl)-1,2-dichlorobenzene

$$$$ Data

M. F.

C8H7BrCl2

Suppliers	Catalog Number
Enamine	EN300-52050

Database	Data ID
PubChem	43141450

M. W.

253.95118

CAS

Similarity

N/A

ID: 262023

1-(1-bromoethyl)-2,4-dichlorobenzene

$$$$ Data

M. F.

C8H7BrCl2

Suppliers	Catalog Number
Enamine	EN300-52051

Database	Data ID
PubChem	43141435

M. W.

253.95118

CAS

Similarity

N/A

ID: 262024

2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetonitrile

$$$$ Data

M. F.

C8H10N2S

Suppliers	Catalog Number
Enamine	EN300-52052

Database	Data ID
PubChem	45791957

M. W.

166.2434

CAS

Similarity

N/A

ID: 262025

2-(chloromethyl)-5-ethoxy-1,3,4-thiadiazole

$$$$ Data

M. F.

C5H7ClN2OS

Suppliers	Catalog Number
Enamine	EN300-52054

Database	Data ID
PubChem	19937607

M. W.

178.63988

CAS

Similarity

N/A

ID: 262026

1-(3-bromopropoxy)naphthalene

$$$$ Data

M. F.

C13H13BrO

Suppliers	Catalog Number
Enamine	EN300-52058

Database	Data ID
PubChem	12959381

M. W.

265.14572

CAS

Similarity

N/A

ID: 262027

2-(pyrrolidin-1-yl)ethane-1-thiol

$$$$ Data

M. F.

C6H13NS

Suppliers	Catalog Number
Enamine	EN300-52059

Database	Data ID
PubChem	21182698

M. W.

131.23912

CAS

Similarity

N/A

ID: 262028

2-(butylsulfanyl)propanoic acid

$$$$ Data

M. F.

C7H14O2S

Suppliers	Catalog Number
Enamine	EN300-52060

Database	Data ID
PubChem	13163412

M. W.

162.24986

CAS

Similarity

N/A

ID: 262029

2-amino-1-(4-hydroxypiperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C7H14N2O2

Suppliers	Catalog Number
Enamine	EN300-52061

Database	Data ID
PubChem	24707568

M. W.

158.19826

CAS

Similarity

N/A

ID: 262030

[2-(aminomethyl)phenyl]methanol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Enamine	EN300-52062
Bide Pharmatech	BD168743

Database	Data ID
PubChem	11275036

M. W.

137.17904

CAS

4152-92-5

Similarity

N/A

ID: 262031

4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C6H7F3N2S

Suppliers	Catalog Number
Enamine	EN300-52063

Database	Data ID
PubChem	29268625

M. W.

196.1933896

CAS

Similarity

N/A

ID: 262032

3-methyl-2-[(4-nitro-1H-pyrrol-2-yl)formamido]butanoic acid

$$$$ Data

M. F.

C10H13N3O5

Suppliers	Catalog Number
Enamine	EN300-52065

Database	Data ID
PubChem	16780099

M. W.

255.22732

CAS

Similarity

N/A

ID: 262033

2-(thiophen-2-yl)-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C11H11Cl2N3S

Suppliers	Catalog Number
Enamine	EN300-52068

Database	Data ID
PubChem	45791959

M. W.

288.19614

CAS

Similarity

N/A

ID: 262034

(Z)-3-chloro-N'-hydroxy-4,5-dimethoxybenzene-1-carboximidamide

$$$$ Data

M. F.

C9H11ClN2O3

Suppliers	Catalog Number
Enamine	EN300-52070

Database	Data ID
PubChem	16774586

M. W.

230.64824

CAS

Similarity

N/A

ID: 262035

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-52071

Database	Data ID
PubChem	22218092

M. W.

262.7563

CAS

Similarity

N/A

ID: 262036

(2-methyl-1,3-thiazol-5-yl)methanamine

$$$$ Data

M. F.

C5H8N2S

Suppliers	Catalog Number
Enamine	EN300-52073

Database	Data ID
PubChem	19046689

M. W.

128.19542

CAS

Similarity

N/A

ID: 262037

4-(4-chlorobenzoyl)piperidine

$$$$ Data

M. F.

C12H14ClNO

Suppliers	Catalog Number
Enamine	EN300-52074
A&J Pharmtech	AJA-O10715

Database	Data ID
PubChem	2777115

M. W.

223.69866

CAS

53220-41-0

Similarity

N/A

ID: 262038

2-[(3-bromophenyl)methanesulfonyl]acetic acid

$$$$ Data

M. F.

C9H9BrO4S

Suppliers	Catalog Number
Enamine	EN300-52075

Database	Data ID
PubChem	24709843

M. W.

293.13436

CAS

Similarity

N/A

ID: 262039

(E)-2-(2,4-dichlorophenoxy)-N'-hydroxyethenimidamide

$$$$ Data

M. F.

C8H8Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-52076

Database	Data ID
PubChem	5702802

M. W.

235.06732

CAS

Similarity

N/A

ID: 262040

2-methyl-2-[(propylcarbamoyl)amino]propanoic acid

$$$$ Data

M. F.

C8H16N2O3

Suppliers	Catalog Number
Enamine	EN300-52077

Database	Data ID
PubChem	16790848

M. W.

188.22424

CAS

Similarity

N/A

ID: 262041

3-[(methylamino)methyl]benzamide hydrochloride

$$$$ Data

M. F.

C9H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-52078

Database	Data ID
PubChem	45791960

M. W.

200.66532

CAS

Similarity

N/A

ID: 262042

ethyl 5-amino-2,3-dihydro-1H-indole-1-carboxylate hydrochloride

$$$$ Data

M. F.

C11H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-52079

Database	Data ID
PubChem	45791961

M. W.

242.702

CAS

Similarity

N/A

ID: 262043

3-methyl-1-(thiophen-2-yl)butan-1-amine hydrochloride

$$$$ Data

M. F.

C9H16ClNS

Suppliers	Catalog Number
Enamine	EN300-52081

Database	Data ID
PubChem	45791962

M. W.

205.74804

CAS

Similarity

N/A

ID: 262044

(5-amino-2-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Enamine	EN300-52082

Database	Data ID
PubChem	237567

M. W.

153.17844

CAS

Similarity

N/A

ID: 262045

5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C10H7BrN4

Suppliers	Catalog Number
Enamine	EN300-52083

Database	Data ID
PubChem	219733

M. W.

263.09338

CAS

Similarity

N/A

ID: 262046

2-(4-chlorophenyl)-1-phenylethan-1-amine hydrochloride

$$$$ Data

M. F.

C14H15Cl2N

Suppliers	Catalog Number
Enamine	EN300-52084

Database	Data ID
PubChem	3052629

M. W.

268.1816

CAS

Similarity

N/A

ID: 262047

6-bromo-3-phenyl-4H-1λ⁶,2,4-benzothiadiazine-1,1-dione

$$$$ Data

M. F.

C13H9BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-52085

Database	Data ID
PubChem	45791963

M. W.

337.19176

CAS

Similarity

N/A

ID: 262048

1-(4-fluorophenyl)piperidin-4-one

$$$$ Data

M. F.

C11H12FNO

Suppliers	Catalog Number
ChemBridge	4000326
Enamine	EN300-52086
A&J Pharmtech	AJA-O30523

Database	Data ID
PubChem	606284

M. W.

193.2174832

CAS

116247-98-4

Similarity

N/A

ID: 262049

2-{1H-pyrrolo[2,3-b]pyridine-3-sulfonamido}acetic acid

$$$$ Data

M. F.

C9H9N3O4S

Suppliers	Catalog Number
Enamine	EN300-52087

Database	Data ID
PubChem	45791964

M. W.

255.25046

CAS

Similarity

N/A

ID: 262050

methyl 2-bromo-5-(chlorosulfonyl)benzoate

$$$$ Data

M. F.

C8H6BrClO4S

Suppliers	Catalog Number
Enamine	EN300-52088

Database	Data ID
PubChem	43436744

M. W.

313.55284

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