Chembase list of 866358 unique molecular structures

(3S)-N,N-diethyl-3,5-dihydroxy-3-(trifluoromethyl)pentanamide

$$$$ Data

M. F.

C10H18F3NO3

Suppliers	Catalog Number
Enamine	EN300-87341

Database	Data ID
PubChem	16228897

M. W.

257.2500296

CAS

Similarity

N/A

ID: 280252

(3R)-N,N-diethyl-3,5-dihydroxy-3-(trifluoromethyl)pentanamide

$$$$ Data

M. F.

C10H18F3NO3

Suppliers	Catalog Number
Enamine	EN300-87342

Database	Data ID
PubChem	16228898

M. W.

257.2500296

CAS

Similarity

N/A

ID: 280253

decahydropyrrolo[3,4-b]pyrrolizin-6-ol

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Enamine	EN300-87344

Database	Data ID
PubChem	16228901

M. W.

168.23614

CAS

Similarity

N/A

ID: 280254

2,5-diethyl octahydropyrrolo[2,3-c]pyrrole-2,5-dicarboxylate

$$$$ Data

M. F.

C12H20N2O4

Suppliers	Catalog Number
Enamine	EN300-87346

Database	Data ID
PubChem	16228902

M. W.

256.2982

CAS

Similarity

N/A

ID: 280255

2,9-diazatricyclo[5.3.0.0²,⁵]decane

$$$$ Data

M. F.

C8H14N2

Suppliers	Catalog Number
Enamine	EN300-87347

Database	Data ID
PubChem	16228903

M. W.

138.21016

CAS

Similarity

N/A

ID: 280256

5-amino-3-ethoxy-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C6H10N4O2

Suppliers	Catalog Number
Enamine	EN300-87348

Database	Data ID
PubChem	16228908

M. W.

170.1692

CAS

Similarity

N/A

ID: 280257

5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C6H10N4O3

Suppliers	Catalog Number
Enamine	EN300-87349

Database	Data ID
PubChem	16228910

M. W.

186.1686

CAS

Similarity

N/A

ID: 280258

5-amino-3-(3-hydroxypropoxy)-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C7H12N4O3

Suppliers	Catalog Number
Enamine	EN300-87350

Database	Data ID
PubChem	16228912

M. W.

200.19518

CAS

Similarity

N/A

ID: 280259

(3aS,5S,7aR)-2-benzyl-5-hydroxy-octahydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H17NO3

Suppliers	Catalog Number
Enamine	EN300-87351

Database	Data ID
PubChem	16228921

M. W.

259.30038

CAS

Similarity

N/A

ID: 280260

tert-butyl (3Z)-3-(hydroxyimino)-4-phenylpiperidine-1-carboxylate

$$$$ Data

M. F.

C16H22N2O3

Suppliers	Catalog Number
Enamine	EN300-87352

Database	Data ID
PubChem	16228924

M. W.

290.35748

CAS

Similarity

N/A

ID: 280261

1-benzyl-5-methyl-1,4-diazepane

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-87354

Database	Data ID
PubChem	10242026

M. W.

204.3113

CAS

Similarity

N/A

ID: 280262

1,2,3,4,5,6,7,8-octahydro-1,6-naphthyridin-2-one

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-87355

Database	Data ID
PubChem	16228927

M. W.

152.19368

CAS

Similarity

N/A

ID: 280263

3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Enamine	EN300-87356

Database	Data ID
PubChem	16228928

M. W.

245.2771

CAS

Similarity

N/A

ID: 280264

(4-phenylphenyl)thiourea

$$$$ Data

M. F.

C13H12N2S

Suppliers	Catalog Number
Enamine	EN300-87365

Database	Data ID
PubChem	3034308

M. W.

228.31278

CAS

Similarity

N/A

ID: 280265

[4-(diethylsulfamoyl)phenyl]thiourea

$$$$ Data

M. F.

C11H17N3O2S2

Suppliers	Catalog Number
Enamine	EN300-87366

Database	Data ID
PubChem	16228930

M. W.

287.40158

CAS

Similarity

N/A

ID: 280266

3-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-87369

Database	Data ID
PubChem	54595352

M. W.

217.22394

CAS

Similarity

N/A

ID: 280267

3-amino-1-(2H-1,3-benzodioxol-5-yl)urea

$$$$ Data

M. F.

C8H9N3O3

Suppliers	Catalog Number
Enamine	EN300-87370

Database	Data ID
PubChem	21803216

M. W.

195.17536

CAS

Similarity

N/A

ID: 280268

6-bromo-3,4-dihydro-2H-1-benzopyran-4-ol

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Enamine	EN300-87371

Database	Data ID
PubChem	43234423

M. W.

229.07056

CAS

Similarity

N/A

ID: 280269

4-(4-fluorophenyl)-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C11H8FNO2

Suppliers	Catalog Number
Enamine	EN300-87372

Database	Data ID
PubChem	43316762

M. W.

205.1851232

CAS

Similarity

N/A

ID: 280270

1-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-87373

Database	Data ID
PubChem	12858798

M. W.

190.24166

CAS

Similarity

N/A

ID: 280271

2-(4-methanesulfonylphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-87374
A&J Pharmtech	AJA-O24486

Database	Data ID
PubChem	2760957

M. W.

199.27002

CAS

Similarity

N/A

ID: 280272

6-(2,3-dichlorophenoxy)pyridazine-3-carboxylic acid

$$$$ Data

M. F.

C11H6Cl2N2O3

Suppliers	Catalog Number
Enamine	EN300-87375

Database	Data ID
PubChem	54595353

M. W.

285.08294

CAS

Similarity

N/A

ID: 280273

5-[6-fluoro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]-2-methylaniline

$$$$ Data

M. F.

C17H18FN3

Suppliers	Catalog Number
Enamine	EN300-87376

Database	Data ID
PubChem	53615875

M. W.

283.3433232

CAS

Similarity

N/A

ID: 280274

(4-bromo-2-fluorophenyl)thiourea

$$$$ Data

M. F.

C7H6BrFN2S

Suppliers	Catalog Number
Enamine	EN300-87378
Bide Pharmatech	BD239680

Database	Data ID
PubChem	16228931

M. W.

249.1033432

CAS

930396-07-9

Similarity

N/A

ID: 280275

(4-bromo-3-methylphenyl)thiourea

$$$$ Data

M. F.

C8H9BrN2S

Suppliers	Catalog Number
Enamine	EN300-87380

Database	Data ID
PubChem	16228932

M. W.

245.13946

CAS

Similarity

N/A

ID: 280276

(2-fluoro-4-methylphenyl)thiourea

$$$$ Data

M. F.

C8H9FN2S

Suppliers	Catalog Number
Enamine	EN300-87381

Database	Data ID
PubChem	16228933

M. W.

184.2338632

CAS

Similarity

N/A

ID: 280277

(3,4-diethoxyphenyl)thiourea

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-87383

Database	Data ID
PubChem	16228934

M. W.

240.32194

CAS

Similarity

N/A

ID: 280278

[4-(1,3-thiazol-2-yl)phenyl]thiourea

$$$$ Data

M. F.

C10H9N3S2

Suppliers	Catalog Number
Enamine	EN300-87385

Database	Data ID
PubChem	39869163

M. W.

235.32856

CAS

Similarity

N/A

ID: 280279

[4-(methylsulfanyl)phenyl]thiourea

$$$$ Data

M. F.

C8H10N2S2

Suppliers	Catalog Number
Enamine	EN300-87388

Database	Data ID
PubChem	1471597

M. W.

198.3084

CAS

Similarity

N/A

ID: 280280

2-oxo-2,3-dihydro-1,3-thiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C3H2ClNO3S2

Suppliers	Catalog Number
Enamine	EN300-87389

Database	Data ID
PubChem	16228937

M. W.

199.63588

CAS

Similarity

N/A

ID: 280281

1,3-dichloroisoquinoline-7-sulfonyl chloride

$$$$ Data

M. F.

C9H4Cl3NO2S

Suppliers	Catalog Number
Enamine	EN300-87392

Database	Data ID
PubChem	16228941

M. W.

296.55756

CAS

Similarity

N/A

ID: 280282

1,3-dichloroisoquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C9H4Cl3NO2S

Suppliers	Catalog Number
Enamine	EN300-87393

Database	Data ID
PubChem	16228942

M. W.

296.55756

CAS

Similarity

N/A

ID: 280283

7-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C12H11N3OS

Suppliers	Catalog Number
Enamine	EN300-87394

Database	Data ID
PubChem	16228946

M. W.

245.30024

CAS

Similarity

N/A

ID: 280284

9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C12H11N3OS

Suppliers	Catalog Number
Enamine	EN300-87395

Database	Data ID
PubChem	16228947

M. W.

245.30024

CAS

Similarity

N/A

ID: 280285

5,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C12H11N3S

Suppliers	Catalog Number
Enamine	EN300-87396

Database	Data ID
PubChem	4738147

M. W.

229.30084

CAS

Similarity

N/A

ID: 280286

7-chloro-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C11H8ClN3S

Suppliers	Catalog Number
Enamine	EN300-87397

Database	Data ID
PubChem	4737854

M. W.

249.71932

CAS

Similarity

N/A

ID: 280287

5,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C12H11N3S

Suppliers	Catalog Number
Enamine	EN300-87398

Database	Data ID
PubChem	16228948

M. W.

229.30084

CAS

Similarity

N/A

ID: 280288

5,8,9-trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C13H13N3S

Suppliers	Catalog Number
Enamine	EN300-87399

Database	Data ID
PubChem	16228949

M. W.

243.32742

CAS

Similarity

N/A

ID: 280289

5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C12H11N3S

Suppliers	Catalog Number
Enamine	EN300-87400

Database	Data ID
PubChem	16228950

M. W.

229.30084

CAS

Similarity

N/A

ID: 280290

5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C16H11N3S

Suppliers	Catalog Number
Enamine	EN300-87401

Database	Data ID
PubChem	4244800

M. W.

277.34364

CAS

Similarity

N/A

ID: 280291

17-phenyl-4,7-dioxa-11,13,14-triazatetracyclo[8.7.0.0³,⁸.0...

$$$$ Data

M. F.

C18H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-87402

Database	Data ID
PubChem	16228951

M. W.

335.37972

CAS

Similarity

N/A

ID: 280292

4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-87407

Database	Data ID
PubChem	43650718

M. W.

179.26208

CAS

Similarity

N/A

ID: 280293

5-methyl-9-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C14H15N3S

Suppliers	Catalog Number
Enamine	EN300-87416

Database	Data ID
PubChem	16228952

M. W.

257.354

CAS

Similarity

N/A

ID: 280294

8-methoxy-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol

$$$$ Data

M. F.

C17H13N3OS

Suppliers	Catalog Number
Enamine	EN300-87417

Database	Data ID
PubChem	5216881

M. W.

307.36962

CAS

Similarity

N/A

ID: 280295

N-cyclopropyl-1-sulfanyl-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

$$$$ Data

M. F.

C14H12N4OS

Suppliers	Catalog Number
Enamine	EN300-87418

Database	Data ID
PubChem	16228953

M. W.

284.33628

CAS

Similarity

N/A

ID: 280296

2-(chloromethyl)-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C21H18ClN3O3

Suppliers	Catalog Number
Enamine	EN300-87419

Database	Data ID
PubChem	25324016

M. W.

395.83892

CAS

Similarity

N/A

ID: 280297

2-(chloromethyl)-5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C21H18ClN3O

Suppliers	Catalog Number
Enamine	EN300-87420

Database	Data ID
PubChem	25324017

M. W.

363.84012

CAS

Similarity

N/A

ID: 280298

2-(chloromethyl)-5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C15H10ClN3O3

Suppliers	Catalog Number
Enamine	EN300-87421

Database	Data ID
PubChem	25324018

M. W.

315.7112

CAS

Similarity

N/A

ID: 280299

2-(chloromethyl)-5,6-bis(thiophen-2-yl)furo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C15H10ClN3OS2

Suppliers	Catalog Number
Enamine	EN300-87422

Database	Data ID
PubChem	25324019

M. W.

347.8424

CAS

Similarity

N/A

ID: 280300

2-(chloromethyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C9H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-87423

Database	Data ID
PubChem	25324021

M. W.

211.6482

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