Chembase list of 866358 unique molecular structures

4-azido-[1,2,3,4]tetrazolo[1,5-a]quinoxaline

$$$$ Data

M. F.

C8H4N8

Suppliers	Catalog Number
Enamine	EN300-107407

Database	Data ID
PubChem	52427315

M. W.

212.17096

CAS

Similarity

N/A

ID: 238152

7-bromo-1-benzothiophene-3-sulfonyl chloride

$$$$ Data

M. F.

C8H4BrClO2S2

Suppliers	Catalog Number
Enamine	EN300-107413

Database	Data ID
PubChem	71756103

M. W.

311.60316

CAS

Similarity

N/A

ID: 238153

methyl 2-iodo-5-methyl-3-nitrobenzoate

$$$$ Data

M. F.

C9H8INO4

Suppliers	Catalog Number
Enamine	EN300-107415

Database	Data ID
PubChem	71756104

M. W.

321.06859

CAS

Similarity

N/A

ID: 238154

2-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C13H10ClN3OS

Suppliers	Catalog Number
Enamine	EN300-107416

Database	Data ID
PubChem	43138425

M. W.

291.756

CAS

Similarity

N/A

ID: 238155

3-phenyl-5-sulfanyl-2,3-dihydro-1,3,4-thiadiazole-2-thione

$$$$ Data

M. F.

C8H6N2S3

Suppliers	Catalog Number
Enamine	EN300-10742

Database	Data ID
PubChem	1810543

M. W.

226.34164

CAS

17654-88-5

Similarity

N/A

ID: 238156

5-(4-bromo-1H-pyrazol-1-yl)-2-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H8BrClN2O2S

Suppliers	Catalog Number
Enamine	EN300-107425

Database	Data ID
PubChem	71756105

M. W.

335.60472

CAS

Similarity

N/A

ID: 238157

5-(4-bromo-1H-pyrazol-1-yl)-2-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H8BrClN2O3S

Suppliers	Catalog Number
Enamine	EN300-107426

Database	Data ID
PubChem	71756106

M. W.

351.60412

CAS

Similarity

N/A

ID: 238158

7-methyl-1-benzothiophene-3-sulfonyl chloride

$$$$ Data

M. F.

C9H7ClO2S2

Suppliers	Catalog Number
Enamine	EN300-107427

Database	Data ID
PubChem	71756107

M. W.

246.73368

CAS

Similarity

N/A

ID: 238159

N-(2-acetyl-1-benzofuran-3-yl)-2-chloroacetamide

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-10743

Database	Data ID
PubChem	3856955

M. W.

251.6657

CAS

Similarity

N/A

ID: 238160

5-amino-2-(2-bromophenyl)-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7BrN2O3

Suppliers	Catalog Number
Enamine	EN300-107430

Database	Data ID
PubChem	71756108

M. W.

283.07818

CAS

Similarity

N/A

ID: 238161

5-amino-2-(3-bromophenyl)-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7BrN2O3

Suppliers	Catalog Number
Enamine	EN300-107431

Database	Data ID
PubChem	71756109

M. W.

283.07818

CAS

Similarity

N/A

ID: 238162

5-amino-2-(4-bromophenyl)-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7BrN2O3

Suppliers	Catalog Number
Enamine	EN300-107432

Database	Data ID
PubChem	71756110

M. W.

283.07818

CAS

Similarity

N/A

ID: 238163

thiane-2-carboxylic acid

$$$$ Data

M. F.

C6H10O2S

Suppliers	Catalog Number
Enamine	EN300-107433

Database	Data ID
PubChem	19010944

M. W.

146.2074

CAS

Similarity

N/A

ID: 238164

1,1-dioxo-1λ⁶-thiane-2-carboxylic acid

$$$$ Data

M. F.

C6H10O4S

Suppliers	Catalog Number
Enamine	EN300-107435

Database	Data ID
PubChem	71756111

M. W.

178.2062

CAS

Similarity

N/A

ID: 238165

thian-2-ylmethanol

$$$$ Data

M. F.

C6H12OS

Suppliers	Catalog Number
Enamine	EN300-107436

Database	Data ID
PubChem	70090209

M. W.

132.22388

CAS

Similarity

N/A

ID: 238166

2-(hydroxymethyl)-1λ⁶-thiane-1,1-dione

$$$$ Data

M. F.

C6H12O3S

Suppliers	Catalog Number
Enamine	EN300-107437

Database	Data ID
PubChem	18712881

M. W.

164.22268

CAS

Similarity

N/A

ID: 238167

2-(aminomethyl)-1λ⁶-thiane-1,1-dione

$$$$ Data

M. F.

C6H13NO2S

Suppliers	Catalog Number
Enamine	EN300-107438

Database	Data ID
PubChem	71756112

M. W.

163.23792

CAS

Similarity

N/A

ID: 238168

1,3-dithiolane-2-carboxylic acid

$$$$ Data

M. F.

C4H6O2S2

Suppliers	Catalog Number
Enamine	EN300-107439

Database	Data ID
PubChem	243349

M. W.

150.21924

CAS

Similarity

N/A

ID: 238169

[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]dimethylamine dihydrochloride

$$$$ Data

M. F.

C10H16Cl3FN2

Suppliers	Catalog Number
Enamine	EN300-10744

Database	Data ID
PubChem	16248204

M. W.

289.6048432

CAS

Similarity

N/A

ID: 238170

4-(methoxycarbonyl)-1,2,5-thiadiazole-3-carboxylic acid

$$$$ Data

M. F.

C5H4N2O4S

Suppliers	Catalog Number
Enamine	EN300-107442

Database	Data ID
PubChem	71756113

M. W.

188.16126

CAS

Similarity

N/A

ID: 238171

5-bromo-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C10H10BrNO

Suppliers	Catalog Number
Enamine	EN300-107445

Database	Data ID
PubChem	64282662

M. W.

240.0965

CAS

Similarity

N/A

ID: 238172

5-bromo-3-ethyl-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Enamine	EN300-107446

Database	Data ID
PubChem	64282067

M. W.

254.12308

CAS

Similarity

N/A

ID: 238173

3-chloro-2-(methoxymethyl)aniline hydrochloride

$$$$ Data

M. F.

C8H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-107447

Database	Data ID
PubChem	71756114

M. W.

208.08504

CAS

Similarity

N/A

ID: 238174

5-nitrobicyclo[2.2.1]hept-2-ene

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
Enamine	EN300-107457

Database	Data ID
PubChem	226075

M. W.

139.15186

CAS

Similarity

N/A

ID: 238175

3-(4-ethylphenyl)-1,2,4-oxadiazole-5-thiol

$$$$ Data

M. F.

C10H10N2OS

Suppliers	Catalog Number
Enamine	EN300-107458

Database	Data ID
PubChem	62955991

M. W.

206.2642

CAS

Similarity

N/A

ID: 238176

(3S,4R)-3-bromo-4-hydroxy-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C4H7BrO3S

Suppliers	Catalog Number
ChemBridge	4085308
Enamine	EN300-107459

Database	Data ID
PubChem	7058837

M. W.

215.06558

CAS

Similarity

N/A

ID: 238177

2-chloro-N-{spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl}acetamide

$$$$ Data

M. F.

C13H14ClNO3

Suppliers	Catalog Number
Enamine	EN300-10746

Database	Data ID
PubChem	3296138

M. W.

267.70816

CAS

Similarity

N/A

ID: 238178

(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethanamine

$$$$ Data

M. F.

C8H13N

Suppliers	Catalog Number
Enamine	EN300-107460

Database	Data ID
PubChem	11885373

M. W.

123.19552

CAS

Similarity

N/A

ID: 238179

5-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C8H6FNO2

Suppliers	Catalog Number
Enamine	EN300-107462
Bide Pharmatech	BD230622

Database	Data ID
PubChem	54758768

M. W.

167.1371432

CAS

1221502-66-4

Similarity

N/A

ID: 238180

5-(2,6-difluorophenyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C8H5F2N3S

Suppliers	Catalog Number
Enamine	EN300-107463

Database	Data ID
PubChem	935312

M. W.

213.2072064

CAS

Similarity

N/A

ID: 238181

2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C5H2F3NO3

Suppliers	Catalog Number
Enamine	EN300-107467
A&J Pharmtech	AJA-O35808

Database	Data ID
PubChem	67424422

M. W.

181.0694896

CAS

1060816-01-4

Similarity

N/A

ID: 238182

(1-methyl-1H-imidazol-2-yl)(piperidin-3-yl)methanol

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Enamine	EN300-107473

Database	Data ID
PubChem	71756115

M. W.

195.26148

CAS

Similarity

N/A

ID: 238183

4-[2,4-bis(propan-2-yl)phenyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C15H20N2S

Suppliers	Catalog Number
Enamine	EN300-10748

Database	Data ID
PubChem	3745065

M. W.

260.3977

CAS

Similarity

N/A

ID: 238184

2-bromo-5-cyclopropyl-1,3,4-thiadiazole

$$$$ Data

M. F.

C5H5BrN2S

Suppliers	Catalog Number
Enamine	EN300-107484

Database	Data ID
PubChem	42281988

M. W.

205.0756

CAS

Similarity

N/A

ID: 238185

2-methyl-2-phenylmorpholine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Alfa Aesar	H31703
Enamine	EN300-107486

Database	Data ID
PubChem	3066037

M. W.

177.2429

CAS

109461-41-8

Similarity

N/A

ID: 238186

octahydro-1-benzofuran-4-amine

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
Enamine	EN300-107487

Database	Data ID
PubChem	71756116

M. W.

141.2108

CAS

Similarity

N/A

ID: 238187

5-(bromomethyl)-2-methylpyridine hydrobromide

$$$$ Data

M. F.

C7H9Br2N

Suppliers	Catalog Number
Enamine	EN300-107488

Database	Data ID
PubChem	22145605

M. W.

266.96106

CAS

Similarity

N/A

ID: 238188

2-chloro-1-(2,5-diethylphenyl)ethan-1-one

$$$$ Data

M. F.

C12H15ClO

Suppliers	Catalog Number
Enamine	EN300-10749

Database	Data ID
PubChem	3760432

M. W.

210.6999

CAS

Similarity

N/A

ID: 238189

1-(1-phenylethyl)-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C15H15N3

Suppliers	Catalog Number
Enamine	EN300-107490

Database	Data ID
PubChem	43148798

M. W.

237.2997

CAS

Similarity

N/A

ID: 238190

1-(propan-2-yl)-1H-indazole-5-sulfonyl chloride

$$$$ Data

M. F.

C10H11ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-107491

Database	Data ID
PubChem	64386780

M. W.

258.72454

CAS

Similarity

N/A

ID: 238191

N-(2-chloroethyl)-N-methylmethanesulfonamide

$$$$ Data

M. F.

C4H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-107492

Database	Data ID
PubChem	63396480

M. W.

171.6457

CAS

Similarity

N/A

ID: 238192

2-oxopiperidine-4-carboxylic acid

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
Enamine	EN300-107493
Bide Pharmatech	BD214196

Database	Data ID
PubChem	55286080

M. W.

143.14056

CAS

24537-50-6

Similarity

N/A

ID: 238193

(2-methylpyrimidin-4-yl)methanol

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
ChemBridge	4044516
Enamine	EN300-107494

Database	Data ID
PubChem	21557330

M. W.

124.14052

CAS

1131605-06-5

Similarity

N/A

ID: 238194

2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

$$$$ Data

M. F.

C12H11ClN2S

Suppliers	Catalog Number
Enamine	EN300-107496

Database	Data ID
PubChem	62548259

M. W.

250.74714

CAS

Similarity

N/A

ID: 238195

2-[(4-methoxyphenyl)methyl]azetidine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Enamine	EN300-107497

Database	Data ID
PubChem	71756117

M. W.

177.2429

CAS

Similarity

N/A

ID: 238196

5-(2-fluoroethoxy)-1H-indole

$$$$ Data

M. F.

C10H10FNO

Suppliers	Catalog Number
Enamine	EN300-107498

Database	Data ID
PubChem	71756118

M. W.

179.1909032

CAS

Similarity

N/A

ID: 238197

3-(2-fluoroethoxy)aniline

$$$$ Data

M. F.

C8H10FNO

Suppliers	Catalog Number
Enamine	EN300-107499

Database	Data ID
PubChem	15058634

M. W.

155.1695032

CAS

Similarity

N/A

ID: 238198

2-chloro-1-(4-ethoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11ClO2

Suppliers	Catalog Number
Enamine	EN300-10750

Database	Data ID
PubChem	4996291

M. W.

198.64614

CAS

64953-82-8

Similarity

N/A

ID: 238199

2-[(4-methoxyphenyl)methoxy]acetaldehyde

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Enamine	EN300-107501

Database	Data ID
PubChem	10219677

M. W.

180.20048

CAS

Similarity

N/A

ID: 238200

1-(2,2-difluoroethyl)piperidine-2-carboxylic acid

$$$$ Data

M. F.

C8H13F2NO2

Suppliers	Catalog Number
Enamine	EN300-107502

Database	Data ID
PubChem	60922290

M. W.

193.1911264

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