Chembase list of 866358 unique molecular structures

$$$$

M. F.

C11H15BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20956

Database

Data ID

M. W.

255.1542

CAS

959237-36-6

Similarity

N/A

ID: 804102

1-(4-bromo-1,3-thiazol-2-yl)-4-methylpiperidine

$$$$

M. F.

C9H13BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20957

Database

Data ID

M. W.

261.18192

CAS

Similarity

N/A

ID: 804103

1-(4-chloropyrimidin-2-yl)pyrrolidin-3-ol

$$$$

M. F.

C8H10ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20958

Database

Data ID

M. W.

199.6375

CAS

Similarity

N/A

ID: 804104

4-chloro-2-(1H-pyrazol-1-yl)pyrimidine

$$$$

M. F.

C7H5ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20959

Database

Data ID

M. W.

180.5944

CAS

Similarity

N/A

ID: 804105

[6-(oxolan-3-yloxy)pyridin-2-yl]boronic acid

$$$$

M. F.

C9H12BNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20960

Database

Data ID

M. W.

209.00688

CAS

Similarity

N/A

ID: 804106

[6-(dimethylamino)pyridin-2-yl]boronic acid

$$$$

M. F.

C7H11BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20962

Database

Data ID

M. W.

165.98544

CAS

Similarity

N/A

ID: 804107

6-bromo-N,N-diethylpyridin-2-amine

$$$$

M. F.

C9H13BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20963

Database

Data ID

M. W.

229.11692

CAS

856850-57-2

Similarity

N/A

ID: 804108

[6-(diethylamino)pyridin-2-yl]boronic acid

$$$$

M. F.

C9H15BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20964

Database

Data ID

M. W.

194.0386

CAS

Similarity

N/A

ID: 804109

[6-(2-oxo-1,2-dihydropyridin-1-yl)pyridin-2-yl]boronic acid

$$$$

M. F.

C10H9BN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20965

Database

Data ID

M. W.

216.00106

CAS

Similarity

N/A

ID: 804110

2-bromo-6-(3-methyl-1H-pyrazol-1-yl)pyridine

$$$$

M. F.

C9H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20966

Database

Data ID

M. W.

238.08392

CAS

853748-41-1

Similarity

N/A

ID: 804111

[6-(3-methyl-1H-pyrazol-1-yl)pyridin-2-yl]boronic acid

$$$$

M. F.

C9H10BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20967

Database

Data ID

M. W.

203.0056

CAS

Similarity

N/A

ID: 804112

2-bromo-6-(4-methyl-1H-pyrazol-1-yl)pyridine

$$$$

M. F.

C9H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20968

Database

Data ID

M. W.

238.08392

CAS

Similarity

N/A

ID: 804113

[6-(4-methyl-1H-pyrazol-1-yl)pyridin-2-yl]boronic acid

$$$$

M. F.

C9H10BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20969

Database

Data ID

M. W.

203.0056

CAS

Similarity

N/A

ID: 804114

[6-(1H-imidazol-1-yl)pyridin-2-yl]boronic acid

$$$$

M. F.

C8H8BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20970

Database

Data ID

M. W.

188.97902

CAS

1163707-69-4

Similarity

N/A

ID: 804115

[6-(4-methylpiperazin-1-yl)pyridin-2-yl]boronic acid

$$$$

M. F.

C10H16BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20971

Database

Data ID

M. W.

221.06394

CAS

Similarity

N/A

ID: 804116

1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidine

$$$$

M. F.

C9H13BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20972

Database

Data ID

M. W.

261.18192

CAS

Similarity

N/A

ID: 804117

1-(4-bromo-1,3-thiazol-2-yl)-2-methylpiperidine

$$$$

M. F.

C9H13BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20973

Database

Data ID

M. W.

261.18192

CAS

Similarity

N/A

ID: 804118

4-bromo-N,N-dimethyl-1,3-thiazol-2-amine

$$$$

M. F.

C5H7BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20974

Database

Data ID

M. W.

207.09148

CAS

209260-76-4

Similarity

N/A

ID: 804119

4-bromo-N,N-diethyl-1,3-thiazol-2-amine

$$$$

M. F.

C7H11BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20975

Database

Data ID

M. W.

235.14464

CAS

Similarity

N/A

ID: 804120

4-bromo-2-(1H-imidazol-1-yl)-1,3-thiazole

$$$$

M. F.

C6H4BrN3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20976

Database

Data ID

M. W.

230.08506

CAS

Similarity

N/A

ID: 804121

4-bromo-2-tert-butyl-1,3-thiazole

$$$$

M. F.

C7H10BrNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20978

Database

Data ID

M. W.

220.13

CAS

Similarity

N/A

ID: 804122

4-bromo-2-(4-methyl-1H-pyrazol-1-yl)-1,3-thiazole

$$$$

M. F.

C7H6BrN3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20979

Database

Data ID

M. W.

244.11164

CAS

Similarity

N/A

ID: 804123

4-bromo-2-(3-methyl-1H-pyrazol-1-yl)-1,3-thiazole

$$$$

M. F.

C7H6BrN3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20980

Database

Data ID

M. W.

244.11164

CAS

Similarity

N/A

ID: 804124

[2-(3-methyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C7H8BN3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20981

Database

Data ID

M. W.

209.03332

CAS

Similarity

N/A

ID: 804125

[2-(4-methyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C7H8BN3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20982

Database

Data ID

M. W.

209.03332

CAS

Similarity

N/A

ID: 804126

[2-(1H-imidazol-1-yl)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C6H6BN3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20983

Database

Data ID

M. W.

195.00674

CAS

1310384-40-7

Similarity

N/A

ID: 804127

[2-(diethylamino)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C7H13BN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20984

Database

Data ID

M. W.

200.06632

CAS

Similarity

N/A

ID: 804128

[2-(dimethylamino)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C5H9BN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20985

Database

Data ID

M. W.

172.01316

CAS

Similarity

N/A

ID: 804129

(1,3-thiazol-4-yl)boronic acid

$$$$

M. F.

C3H4BNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20986

Database

Data ID

M. W.

128.94536

CAS

1016642-07-1

Similarity

N/A

ID: 804130

(2-methyl-1,3-thiazol-4-yl)boronic acid

$$$$

M. F.

C4H6BNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20987

Database

Data ID

M. W.

142.97194

CAS

1246761-85-2

Similarity

N/A

ID: 804131

[2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C9H15BN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20988

Database

Data ID

M. W.

226.1036

CAS

Similarity

N/A

ID: 804132

[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]boronic acid

$$$$

M. F.

C9H15BN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20989

Database

Data ID

M. W.

226.1036

CAS

Similarity

N/A

ID: 804133

[5-(2-oxo-1,2-dihydropyridin-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C9H8BN3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20990

Database

Data ID

M. W.

216.98912

CAS

Similarity

N/A

ID: 804134

2-bromo-5-(cyclopentyloxy)pyrazine

$$$$

M. F.

C9H11BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20991

Database

Data ID

M. W.

243.10044

CAS

Similarity

N/A

ID: 804135

2-bromo-5-propoxypyrazine

$$$$

M. F.

C7H9BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20992

Database

Data ID

M. W.

217.06316

CAS

Similarity

N/A

ID: 804136

(5-hydroxypyrazin-2-yl)boronic acid

$$$$

M. F.

C4H5BN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20993

Database

Data ID

M. W.

139.9051

CAS

1262116-48-2

Similarity

N/A

ID: 804137

2-bromo-5-(4-methylpiperidin-1-yl)pyrazine

$$$$

M. F.

C10H14BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20994

Database

Data ID

M. W.

256.14226

CAS

Similarity

N/A

ID: 804138

[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C10H16BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20995

Database

Data ID

M. W.

221.06394

CAS

Similarity

N/A

ID: 804139

2-bromo-5-(3-methylpiperidin-1-yl)pyrazine

$$$$

M. F.

C10H14BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20996

Database

Data ID

M. W.

256.14226

CAS

Similarity

N/A

ID: 804140

[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C10H16BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20997

Database

Data ID

M. W.

221.06394

CAS

Similarity

N/A

ID: 804141

2-bromo-5-(2-methylpiperidin-1-yl)pyrazine

$$$$

M. F.

C10H14BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20998

Database

Data ID

M. W.

256.14226

CAS

Similarity

N/A

ID: 804142

[5-(2-methylpiperidin-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C10H16BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20999

Database

Data ID

M. W.

221.06394

CAS

Similarity

N/A

ID: 804143

2-bromo-5-(4-methylpiperazin-1-yl)pyrazine

$$$$

M. F.

C9H13BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21000

Database

Data ID

M. W.

257.13032

CAS

955050-06-3

Similarity

N/A

ID: 804144

[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C9H15BN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21001

Database

Data ID

M. W.

222.052

CAS

Similarity

N/A

ID: 804145

2-bromo-5-(2-methyl-1H-imidazol-1-yl)pyrazine

$$$$

M. F.

C8H7BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21002

Database

Data ID

M. W.

239.07198

CAS

Similarity

N/A

ID: 804146

[5-(2-methyl-1H-imidazol-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C8H9BN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21003

Database

Data ID

M. W.

203.99366

CAS

Similarity

N/A

ID: 804147

2-bromo-5-(1H-imidazol-1-yl)pyrazine

$$$$

M. F.

C7H5BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21004

Database

Data ID

M. W.

225.0454

CAS

Similarity

N/A

ID: 804148

[5-(1H-imidazol-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C7H7BN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21005

Database

Data ID

M. W.

189.96708

CAS

Similarity

N/A

ID: 804149

2-bromo-5-(3-methyl-1H-pyrazol-1-yl)pyrazine

$$$$

M. F.

C8H7BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21006

Database

Data ID

M. W.

239.07198

CAS

Similarity

N/A

ID: 804150

[5-(3-methyl-1H-pyrazol-1-yl)pyrazin-2-yl]boronic acid

$$$$

M. F.

C8H9BN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O21007

Database

Data ID

M. W.

203.99366

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