Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H4ClIN2O2

Suppliers	Catalog Number
Enamine	EN300-84566

Database	Data ID
PubChem	54594962

M. W.

334.49773

CAS

Similarity

N/A

ID: 278702

3-iodo-8-methyl-5-nitroquinoline

$$$$ Data

M. F.

C10H7IN2O2

Suppliers	Catalog Number
Enamine	EN300-84567

Database	Data ID
PubChem	54594963

M. W.

314.07925

CAS

Similarity

N/A

ID: 278703

3-iodo-8-methylquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C10H7ClINO2S

Suppliers	Catalog Number
Enamine	EN300-84569

Database	Data ID
PubChem	54594964

M. W.

367.59055

CAS

Similarity

N/A

ID: 278704

3-iodo-8-methylquinoline-5-sulfonamide

$$$$ Data

M. F.

C10H9IN2O2S

Suppliers	Catalog Number
Enamine	EN300-84570

Database	Data ID
PubChem	54594965

M. W.

348.16013

CAS

Similarity

N/A

ID: 278705

8-chloro-3-iodoquinoline-5-sulfonamide

$$$$ Data

M. F.

C9H6ClIN2O2S

Suppliers	Catalog Number
Enamine	EN300-84571

Database	Data ID
PubChem	54594966

M. W.

368.57861

CAS

Similarity

N/A

ID: 278706

8-chloro-3-iodoquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C9H4Cl2INO2S

Suppliers	Catalog Number
Enamine	EN300-84572

Database	Data ID
PubChem	54594967

M. W.

388.00903

CAS

Similarity

N/A

ID: 278707

1-[(3-bromophenyl)methyl]piperidine-2,6-dione

$$$$ Data

M. F.

C12H12BrNO2

Suppliers	Catalog Number
Enamine	EN300-84579

Database	Data ID
PubChem	53536074

M. W.

282.13318

CAS

Similarity

N/A

ID: 278708

4-[(3-bromophenyl)methyl]morpholine-3,5-dione

$$$$ Data

M. F.

C11H10BrNO3

Suppliers	Catalog Number
Enamine	EN300-84581

Database	Data ID
PubChem	53536966

M. W.

284.106

CAS

Similarity

N/A

ID: 278709

3-fluoro-4-sulfanylbenzonitrile

$$$$ Data

M. F.

C7H4FNS

Suppliers	Catalog Number
Enamine	EN300-84582

Database	Data ID
PubChem	20037173

M. W.

153.1767632

CAS

Similarity

N/A

ID: 278710

N-benzyl-N-cyclopropylpiperidine-4-carboxamide

$$$$ Data

M. F.

C16H22N2O

Suppliers	Catalog Number
Enamine	EN300-84583

Database	Data ID
PubChem	43579224

M. W.

258.35868

CAS

Similarity

N/A

ID: 278711

3-{[(2,5-difluorophenyl)sulfanyl]methyl}benzoic acid

$$$$ Data

M. F.

C14H10F2O2S

Suppliers	Catalog Number
Enamine	EN300-84584

Database	Data ID
PubChem	43236039

M. W.

280.2898064

CAS

Similarity

N/A

ID: 278712

{[6-(difluoromethoxy)-2H-1,3-benzodioxol-5-yl]methyl}(methyl)amine

$$$$ Data

M. F.

C10H11F2NO3

Suppliers	Catalog Number
Enamine	EN300-84585

Database	Data ID
PubChem	54594968

M. W.

231.1960464

CAS

Similarity

N/A

ID: 278713

1-(prop-2-yn-1-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C9H14O

Suppliers	Catalog Number
Enamine	EN300-84586

Database	Data ID
PubChem	87938

M. W.

138.20686

CAS

Similarity

N/A

ID: 278714

methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate

$$$$ Data

M. F.

C8H7N3O2S

Suppliers	Catalog Number
Enamine	EN300-84587

Database	Data ID
PubChem	2759783

M. W.

209.22508

CAS

Similarity

N/A

ID: 278715

1-amino-4-methylpentan-3-ol

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Enamine	EN300-84592

Database	Data ID
PubChem	54594969

M. W.

117.1894

CAS

Similarity

N/A

ID: 278716

N-(2-methylfuran-3-yl)formamide

$$$$ Data

M. F.

C6H7NO2

Suppliers	Catalog Number
Enamine	EN300-84593

Database	Data ID
PubChem	33727900

M. W.

125.12528

CAS

Similarity

N/A

ID: 278717

N-(2-methylfuran-3-yl)acetamide

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
Enamine	EN300-84594

Database	Data ID
PubChem	54594970

M. W.

139.15186

CAS

Similarity

N/A

ID: 278718

1-carbamothioyl-N-ethylformamide

$$$$ Data

M. F.

C4H8N2OS

Suppliers	Catalog Number
Enamine	EN300-84597

Database	Data ID
PubChem	5365446

M. W.

132.18412

CAS

Similarity

N/A

ID: 278719

1-carbamothioyl-N-(propan-2-yl)formamide

$$$$ Data

M. F.

C5H10N2OS

Suppliers	Catalog Number
Enamine	EN300-84598

Database	Data ID
PubChem	54594971

M. W.

146.2107

CAS

Similarity

N/A

ID: 278720

1-carbamothioyl-N-cyclopropylformamide

$$$$ Data

M. F.

C5H8N2OS

Suppliers	Catalog Number
Enamine	EN300-84599

Database	Data ID
PubChem	54594972

M. W.

144.19482

CAS

Similarity

N/A

ID: 278721

2,2-dimethylhexa-4,5-dien-3-one

$$$$ Data

M. F.

C8H12O

Suppliers	Catalog Number
Enamine	EN300-84607

Database	Data ID
PubChem	12721531

M. W.

124.18028

CAS

Similarity

N/A

ID: 278722

tert-butyl N-(1,2-dithiolan-4-yl)carbamate

$$$$ Data

M. F.

C8H15NO2S2

Suppliers	Catalog Number
Enamine	EN300-84609

Database	Data ID
PubChem	54594973

M. W.

221.3402

CAS

Similarity

N/A

ID: 278723

1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-84621

Database	Data ID
PubChem	54594974

M. W.

169.2209

CAS

Similarity

N/A

ID: 278724

2-amino-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Enamine	EN300-84622

Database	Data ID
PubChem	16767868

M. W.

140.18298

CAS

Similarity

N/A

ID: 278725

1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
ChemBridge	4002407
Enamine	EN300-84624
A&J Pharmtech	AJA-O14187

Database	Data ID
PubChem	23005782

M. W.

125.17164

CAS

911788-33-5

Similarity

N/A

ID: 278726

1-amino-2-(5-methylfuran-2-yl)propan-2-ol

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Enamine	EN300-84625

Database	Data ID
PubChem	54594975

M. W.

155.19432

CAS

Similarity

N/A

ID: 278727

2-{1-[(2-methylpropyl)carbamoyl]piperidin-3-yl}acetic acid

$$$$ Data

M. F.

C12H22N2O3

Suppliers	Catalog Number
Enamine	EN300-84626

Database	Data ID
PubChem	53625439

M. W.

242.31468

CAS

Similarity

N/A

ID: 278728

5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

$$$$ Data

M. F.

C12H8N2OS

Suppliers	Catalog Number
Enamine	EN300-84627

Database	Data ID
PubChem	9815997

M. W.

228.26972

CAS

Similarity

N/A

ID: 278729

3-chloro-6-(2-fluorophenyl)-4-methylpyridazine

$$$$ Data

M. F.

C11H8ClFN2

Suppliers	Catalog Number
Enamine	EN300-84628

Database	Data ID
PubChem	14450222

M. W.

222.6460232

CAS

Similarity

N/A

ID: 278730

3-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C10H15N3O2S

Suppliers	Catalog Number
Enamine	EN300-84630

Database	Data ID
PubChem	43159063

M. W.

241.31

CAS

Similarity

N/A

ID: 278731

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

$$$$ Data

M. F.

C12H24Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-84631

Database	Data ID
PubChem	53536971

M. W.

311.25116

CAS

Similarity

N/A

ID: 278732

4-bromo-N-(2-methylphenyl)benzamide

$$$$ Data

M. F.

C14H12BrNO

Suppliers	Catalog Number
Enamine	EN300-84632

Database	Data ID
PubChem	668759

M. W.

290.15518

CAS

Similarity

N/A

ID: 278733

1-(4-phenylpiperazin-1-yl)propan-2-amine

$$$$ Data

M. F.

C13H21N3

Suppliers	Catalog Number
Enamine	EN300-84633

Database	Data ID
PubChem	20116601

M. W.

219.32594

CAS

Similarity

N/A

ID: 278734

N-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)hydroxylamine

$$$$ Data

M. F.

C7H7N3OS

Suppliers	Catalog Number
Enamine	EN300-84635

Database	Data ID
PubChem	9555501

M. W.

181.21498

CAS

Similarity

N/A

ID: 278735

1-(2-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

$$$$ Data

M. F.

C12H14OS2

Suppliers	Catalog Number
Enamine	EN300-84636

Database	Data ID
PubChem	12340503

M. W.

238.36896

CAS

Similarity

N/A

ID: 278736

N-[2-(2-bromophenyl)-2-oxoethyl]-2-chloroacetamide

$$$$ Data

M. F.

C10H9BrClNO2

Suppliers	Catalog Number
Enamine	EN300-84639

Database	Data ID
PubChem	54594976

M. W.

290.54096

CAS

Similarity

N/A

ID: 278737

4-(2,2,2-trifluoroethyl)aniline

$$$$ Data

M. F.

C8H8F3N

Suppliers	Catalog Number
Enamine	EN300-84640
Bide Pharmatech	BD226191
A&J Pharmtech	AJA-O32246

Database	Data ID
PubChem	14836858

M. W.

175.1510296

CAS

131395-17-0

Similarity

N/A

ID: 278738

4-isocyanato-3,4-dihydro-2H-1-benzopyran

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Enamine	EN300-84641

Database	Data ID
PubChem	53626621

M. W.

175.18396

CAS

Similarity

N/A

ID: 278739

1,3-dithian-5-amine

$$$$ Data

M. F.

C4H9NS2

Suppliers	Catalog Number
Enamine	EN300-84643

Database	Data ID
PubChem	14594157

M. W.

135.25096

CAS

Similarity

N/A

ID: 278740

1,3-dithian-5-one

$$$$ Data

M. F.

C4H6OS2

Suppliers	Catalog Number
Enamine	EN300-84644

Database	Data ID
PubChem	14458449

M. W.

134.21984

CAS

Similarity

N/A

ID: 278741

2-hydroxycyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C6H10O3

Suppliers	Catalog Number
Enamine	EN300-84646

Database	Data ID
PubChem	552195

M. W.

130.1418

CAS

Similarity

N/A

ID: 278742

(ethylamino)thiourea

$$$$ Data

M. F.

C3H9N3S

Suppliers	Catalog Number
Enamine	EN300-84654

Database	Data ID
PubChem	22105028

M. W.

119.18866

CAS

Similarity

N/A

ID: 278743

(methylamino)thiourea

$$$$ Data

M. F.

C2H7N3S

Suppliers	Catalog Number
Enamine	EN300-84655

Database	Data ID
PubChem	3037098

M. W.

105.16208

CAS

Similarity

N/A

ID: 278744

(propylamino)thiourea

$$$$ Data

M. F.

C4H11N3S

Suppliers	Catalog Number
Enamine	EN300-84656

Database	Data ID
PubChem	3374478

M. W.

133.21524

CAS

Similarity

N/A

ID: 278745

methyl 3-amino-3-(2,4-difluorophenyl)propanoate hydrochloride

$$$$ Data

M. F.

C10H12ClF2NO2

Suppliers	Catalog Number
Enamine	EN300-84657

Database	Data ID
PubChem	53536969

M. W.

251.6575864

CAS

Similarity

N/A

ID: 278746

6-amino-N,N-dimethylpyridine-2-carboxamide

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-84660

Database	Data ID
PubChem	54594977

M. W.

165.19244

CAS

Similarity

N/A

ID: 278747

4-phenylmethanesulfonylbenzoic acid

$$$$ Data

M. F.

C14H12O4S

Suppliers	Catalog Number
Enamine	EN300-84661

Database	Data ID
PubChem	3239622

M. W.

276.30768

CAS

Similarity

N/A

ID: 278748

pyrrolidine-2-carbothioamide

$$$$ Data

M. F.

C5H10N2S

Suppliers	Catalog Number
Enamine	EN300-84662

Database	Data ID
PubChem	14019680

M. W.

130.2113

CAS

Similarity

N/A

ID: 278749

1-(4-fluorophenyl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one

$$$$ Data

M. F.

C15H12F2OS

Suppliers	Catalog Number
Enamine	EN300-84664

Database	Data ID
PubChem	3654940

M. W.

278.3169864

CAS

Similarity

N/A

ID: 278750

4-(propane-2-sulfinyl)benzoic acid

$$$$ Data

M. F.

C10H12O3S

Suppliers	Catalog Number
Enamine	EN300-84665

Database	Data ID
PubChem	53536970

M. W.

212.26548

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