Chembase list of 866358 unique molecular structures

6-[(1,3-benzothiazol-2-yl)amino]hexanoic acid

$$$$ Data

M. F.

C13H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-14920

Database	Data ID
PubChem	7131231

M. W.

264.34334

CAS

Similarity

N/A

ID: 250552

4-(ethylamino)quinazoline-2-thiol

$$$$ Data

M. F.

C10H11N3S

Suppliers	Catalog Number
Enamine	EN300-14921

Database	Data ID
PubChem	7131232

M. W.

205.27944

CAS

Similarity

N/A

ID: 250553

5-(3-bromophenyl)-4H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C8H7BrN4

Suppliers	Catalog Number
Enamine	EN300-14922
A&J Pharmtech	AJA-O13976

Database	Data ID
PubChem	3734662

M. W.

239.07198

CAS

383130-99-2

Similarity

N/A

ID: 250554

5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Enamine	EN300-14923

Database	Data ID
PubChem	4328391

M. W.

188.22908

CAS

Similarity

N/A

ID: 250555

5-[(3-ethoxypropyl)amino]-1,3,4-thiadiazole-2-thiol

$$$$ Data

M. F.

C7H13N3OS2

Suppliers	Catalog Number
Enamine	EN300-14924

Database	Data ID
PubChem	7131233

M. W.

219.32762

CAS

Similarity

N/A

ID: 250556

(2-ethyl-6-methylphenyl)thiourea

$$$$ Data

M. F.

C10H14N2S

Suppliers	Catalog Number
Enamine	EN300-14925

Database	Data ID
PubChem	7064048

M. W.

194.29656

CAS

Similarity

N/A

ID: 250557

(3-fluoro-4-methylphenyl)thiourea

$$$$ Data

M. F.

C8H9FN2S

Suppliers	Catalog Number
Enamine	EN300-14926

Database	Data ID
PubChem	7131234

M. W.

184.2338632

CAS

Similarity

N/A

ID: 250558

[(4-fluorophenyl)methyl]thiourea

$$$$ Data

M. F.

C8H9FN2S

Suppliers	Catalog Number
Enamine	EN300-14929

Database	Data ID
PubChem	2826107

M. W.

184.2338632

CAS

405-74-3

Similarity

N/A

ID: 250559

3-amino-1-[(4-fluorophenyl)methyl]thiourea

$$$$ Data

M. F.

C8H10FN3S

Suppliers	Catalog Number
Enamine	EN300-14930

Database	Data ID
PubChem	2733077

M. W.

199.2485032

CAS

Similarity

N/A

ID: 250560

3-amino-1-(2-ethyl-6-methylphenyl)thiourea

$$$$ Data

M. F.

C10H15N3S

Suppliers	Catalog Number
Enamine	EN300-14932

Database	Data ID
PubChem	3269074

M. W.

209.3112

CAS

Similarity

N/A

ID: 250561

2-fluoro-4-isothiocyanato-1-methylbenzene

$$$$ Data

M. F.

C8H6FNS

Suppliers	Catalog Number
Enamine	EN300-14933

Database	Data ID
PubChem	279086

M. W.

167.2033432

CAS

143782-23-4

Similarity

N/A

ID: 250562

3-(3-fluoro-4-methylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C15H11FN2OS

Suppliers	Catalog Number
Enamine	EN300-14934

Database	Data ID
PubChem	4008147

M. W.

286.3240432

CAS

1512-75-0

Similarity

N/A

ID: 250563

3-(2-ethylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C16H14N2OS

Suppliers	Catalog Number
Enamine	EN300-14935

Database	Data ID
PubChem	2731304

M. W.

282.36016

CAS

Similarity

N/A

ID: 250564

3-ethyl-2-hydroxy-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Enamine	EN300-14936

Database	Data ID
PubChem	747439

M. W.

190.1986

CAS

Similarity

N/A

ID: 250565

3-butyl-2-hydroxy-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Enamine	EN300-14937

Database	Data ID
PubChem	246265

M. W.

218.25176

CAS

Similarity

N/A

ID: 250566

3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic ...

$$$$ Data

M. F.

C16H11ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-14938

Database	Data ID
PubChem	3576165

M. W.

346.78814

CAS

Similarity

N/A

ID: 250567

4-methyl-2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C9H7NO2S2

Suppliers	Catalog Number
Enamine	EN300-14939

Database	Data ID
PubChem	7131236

M. W.

225.28738

CAS

Similarity

N/A

ID: 250568

2-[(thiophen-3-ylmethyl)sulfanyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C7H12ClNS2

Suppliers	Catalog Number
Enamine	EN300-14942

Database	Data ID
PubChem	17479194

M. W.

209.75988

CAS

Similarity

N/A

ID: 250569

2-(4-formyl-2,6-dimethoxyphenoxy)acetamide

$$$$ Data

M. F.

C11H13NO5

Suppliers	Catalog Number
Enamine	EN300-14943

Database	Data ID
PubChem	7131239

M. W.

239.22462

CAS

Similarity

N/A

ID: 250570

2-amino-N-(trimethyl-1H-pyrazol-4-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C8H16Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-14944

Database	Data ID
PubChem	16258781

M. W.

255.14484

CAS

Similarity

N/A

ID: 250571

6-amino-5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydro...

$$$$ Data

M. F.

C15H14N4O3S

Suppliers	Catalog Number
Enamine	EN300-14946

Database	Data ID
PubChem	7131244

M. W.

330.36166

CAS

Similarity

N/A

ID: 250572

2,2,2-trichloro-1-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]ethan-1-one

$$$$ Data

M. F.

C8H5Cl4NO2

Suppliers	Catalog Number
Enamine	EN300-14947

Database	Data ID
PubChem	7131245

M. W.

288.9428

CAS

Similarity

N/A

ID: 250573

4-(carbamoylmethoxy)benzoic acid

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
ChemBridge	4021970
Enamine	EN300-14949

Database	Data ID
PubChem	964405

M. W.

195.17206

CAS

159143-14-3

Similarity

N/A

ID: 250574

(2E)-2-(N-hydroxyimino)-N-(4-methoxyphenyl)acetamide

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
Enamine	EN300-14950

Database	Data ID
PubChem	6411017

M. W.

194.1873

CAS

Similarity

N/A

ID: 250575

6-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C16H15N3O2

Suppliers	Catalog Number
Enamine	EN300-14951

Database	Data ID
PubChem	7131247

M. W.

281.3092

CAS

Similarity

N/A

ID: 250576

2-(2-bromo-4,5-dimethoxyphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C10H15BrClNO2

Suppliers	Catalog Number
Enamine	EN300-14952

Database	Data ID
PubChem	16258770

M. W.

296.5886

CAS

63375-81-5

Similarity

N/A

ID: 250577

2-[(carbamothioylmethyl)(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

$$$$ Data

M. F.

C14H21N3OS

Suppliers	Catalog Number
Enamine	EN300-14954

Database	Data ID
PubChem	7131250

M. W.

279.40104

CAS

Similarity

N/A

ID: 250578

4-(benzyloxy)-3,5-dimethoxybenzaldehyde

$$$$ Data

M. F.

C16H16O4

Suppliers	Catalog Number
Enamine	EN300-14955

Database	Data ID
PubChem	3014502

M. W.

272.29584

CAS

6527-32-8

Similarity

N/A

ID: 250579

N-benzyl-2-chloro-2-phenylacetamide

$$$$ Data

M. F.

C15H14ClNO

Suppliers	Catalog Number
Enamine	EN300-14956

Database	Data ID
PubChem	147187

M. W.

259.73076

CAS

27946-19-6

Similarity

N/A

ID: 250580

4-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridine

$$$$ Data

M. F.

C13H13NS

Suppliers	Catalog Number
Enamine	EN300-14957

Database	Data ID
PubChem	6485298

M. W.

215.31402

CAS

91477-84-8

Similarity

N/A

ID: 250581

[3-(3,4-dimethoxyphenyl)propyl](methyl)amine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-14958
A&J Pharmtech	AJA-O28985

Database	Data ID
PubChem	7131256

M. W.

209.28476

CAS

57010-78-3

Similarity

N/A

ID: 250582

[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine hyd...

$$$$ Data

M. F.

C8H7Cl2F3N4

Suppliers	Catalog Number
Enamine	EN300-14959

Database	Data ID
PubChem	16258780

M. W.

287.0691896

CAS

Similarity

N/A

ID: 250583

2-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]acetic acid hydrobromide

$$$$ Data

M. F.

C13H14BrNO3S

Suppliers	Catalog Number
Enamine	EN300-14960

Database	Data ID
PubChem	16258779

M. W.

344.22416

CAS

Similarity

N/A

ID: 250584

3,5-dimethyl-2H-1λ⁶,2,6-thiadiazine-1,1-dione

$$$$ Data

M. F.

C5H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-14961

Database	Data ID
PubChem	4465476

M. W.

160.19422

CAS

697-44-9

Similarity

N/A

ID: 250585

2-chloro-3-methyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-14962

Database	Data ID
PubChem	7131261

M. W.

194.61768

CAS

Similarity

N/A

ID: 250586

2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

$$$$ Data

M. F.

C9H7ClN4O2

Suppliers	Catalog Number
Enamine	EN300-14963

Database	Data ID
PubChem	1096293

M. W.

238.63048

CAS

27582-37-2

Similarity

N/A

ID: 250587

2-[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

$$$$ Data

M. F.

C11H12N4O4

Suppliers	Catalog Number
Enamine	EN300-14964

Database	Data ID
PubChem	865438

M. W.

264.23738

CAS

91759-61-4

Similarity

N/A

ID: 250588

methyl 3-(4-aminobenzenesulfonamido)propanoate hydrochloride

$$$$ Data

M. F.

C10H15ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-14965

Database	Data ID
PubChem	16263900

M. W.

294.7551

CAS

Similarity

N/A

ID: 250589

[4-(piperidine-1-carbonyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Enamine	EN300-14966

Database	Data ID
PubChem	16336503

M. W.

254.75576

CAS

Similarity

N/A

ID: 250590

4-(piperazine-1-sulfonyl)benzamide hydrochloride

$$$$ Data

M. F.

C11H16ClN3O3S

Suppliers	Catalog Number
Enamine	EN300-14967

Database	Data ID
PubChem	16258785

M. W.

305.78104

CAS

Similarity

N/A

ID: 250591

5-[(methoxycarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C7H8N2O4S

Suppliers	Catalog Number
Enamine	EN300-14968

Database	Data ID
PubChem	7131267

M. W.

216.21442

CAS

Similarity

N/A

ID: 250592

2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Enamine	EN300-14969

Database	Data ID
PubChem	7131269

M. W.

235.23592

CAS

Similarity

N/A

ID: 250593

2-({trimethylthieno[2,3-d]pyrimidin-4-yl}amino)acetic acid

$$$$ Data

M. F.

C11H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-14970

Database	Data ID
PubChem	4737006

M. W.

251.30482

CAS

Similarity

N/A

ID: 250594

4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-amine

$$$$ Data

M. F.

C14H17N3O2S

Suppliers	Catalog Number
Enamine	EN300-14971

Database	Data ID
PubChem	671411

M. W.

291.36868

CAS

Similarity

N/A

ID: 250595

6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

$$$$ Data

M. F.

C6H5N3O2

Suppliers	Catalog Number
Enamine	EN300-14972

Database	Data ID
PubChem	351378

M. W.

151.1228

CAS

5900-40-3

Similarity

N/A

ID: 250596

3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid

$$$$ Data

M. F.

C13H11FO3

Suppliers	Catalog Number
Enamine	EN300-14974

Database	Data ID
PubChem	7131276

M. W.

234.2230432

CAS

24090-21-9

Similarity

N/A

ID: 250597

3-(2-chloroacetyl)-1-(2,3-dimethylphenyl)urea

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-14976

Database	Data ID
PubChem	7131277

M. W.

240.68612

CAS

Similarity

N/A

ID: 250598

3-(2-chloroacetyl)-1-(3,4-dimethylphenyl)urea

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-14977

Database	Data ID
PubChem	7131278

M. W.

240.68612

CAS

103405-98-7

Similarity

N/A

ID: 250599

2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile

$$$$ Data

M. F.

C12H11N3OS

Suppliers	Catalog Number
Enamine	EN300-14978

Database	Data ID
PubChem	7064050

M. W.

245.30024

CAS

Similarity

N/A

ID: 250600

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol

$$$$ Data

M. F.

C13H11N3O

Suppliers	Catalog Number
Enamine	EN300-14979

Database	Data ID
PubChem	721644

M. W.

225.24594

CAS

91902-03-3

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