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4-[(2-{[(1R,2R)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridinecarboxamide | CAS No. 953769-46-5

4-[(2-{[(1R,2R)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridinecarboxamide

Basic Information

Chemical_Structure_Of

CAS Number

953769-46-5

Molecular Formula

C20H22N4O3S

Molecular Weight

398.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.377±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.2E-3 g/L) (25 ºC),

SMILES

CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)sc(n3)N[C@@H]4CCCC[C@H]4O

InChI

InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1

InChIKey

ADZBMFGQQWPHMJ-RHSMWYFYSA-N

LogP

3.5586000000000015

Topological Polar Surface Area

96.37 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

540

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BLZ945
4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo-[d]thiazol-6-yl)oxy)-N-methylpicolinamide
4-((2-(((1R,2R)-2-hydroxycyclohexyl)aMino)benzo[d]thiazol-6-yl)oxy)-N-MethylpicolinaMide
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
BLZ-945
4-[[2-[[(1R,2R)-2-Hydroxycyclohexyl]amino]-6-benzothiazolyl]oxy]-N-methyl-2-pyridinecarboxamide
7W3V82OQ0P
C20H22N4O3S
BLZ 945
GTPL8250
SYN1197
ADZBMFGQQWPHMJ-RHSMWYFYSA-N
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiaz
Sotuletinib
4-[[2-[[(1R,2R)-2-Hydroxycyclohexyl]amino]-6-benzothiazolyl]oxy]-N-methyl-2-pyridinecarboxamide (ACI)
4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo[d]thiazol-6-yl)oxy)-N-methylpicolinamide
4-[[2-((1R,2R)-2-Hydroxycyclohexylamino)benzothiazol-6-yl]oxy]-N-methylpicolinamide

MDL Number

MFCD28142668

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Shanghai Qingliu Chemical Industry Co., Ltd.

CAS Number: 953769-46-5

ZhengZhouAErFa Chemical Co Ltd

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ShangHaiYiJi Industrial Co Ltd

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Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

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