Phenyl-2-thiazolylmethanone

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CAS Number

7210-75-5

Smiles

C (=O) (c1nccs1) c1ccccc1

Chemical Information

2-Benzoyl-1,3-thiazole

CAS Number	7210-75-5
PubChem CID	569967
IUPAC Name	phenyl(1,3-thiazol-2-yl)methanone
Molecular Formula	C10H7NOS
Molecular Weight	189.24
XLogP	2.6
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

C1=CC=C(C=C1)C(=O)C2=NC=CS2

InChI

InChI=1S/C10H7NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H

InChIKey

JLTSGRABZPTRMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7210-75-5

CID: 569967

Formula: C10H7NOS

MW: 189.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.24
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.02483502
Monoisotopic Mass	189.02483502
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1081077	Cyclopropyl-2-thiazolylmethanone
OR1098388	(4-Chlorophenyl) -2-thiazolylmethanone
PC1012916	(3,5-Difluorophenyl) -2-thiazolylmethanone
OR300820	2-Phenyl-2-[2- (Phenyl) ethylamino]acetonitrile
OR1092501-01	Phenyl[2- (phenylmethyl) phenyl]methanone
OR1059830-01	(2- (Dicyclohexylphosphino) phenyl) (phenyl) methanone
OR1086622-01	(2- (ethylthio) phenyl) (phenyl) methanone
PC1009217-01	(2- (difluoromethyl) phenyl) (phenyl) methanone
OR1048300-01	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
PC1011035-01	Phenyl (2- (trifluoromethoxy) phenyl) methanol

Catalog	Name
AR-Q01027-01	Phenyl-2- (phenyl thio) phenyl carbamide
FH 1G 0124-01	[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]-phenylmethanol
YAC81540-01	Phenyl[2- (trifluoromethoxy) phenyl]methanamine
TRC-P335965-5G	Phenyl[2-phenylthio)phenyl]carbamate
FH 1G 0121-01	2-[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]propan-2-ol
JH444530	(2-CHLORO-PHENYL) -PHENYL-METHANOL
165919	Phenyl[2-phenylthio) phenyl]carbamate
JH919509	(2- (Hydroxymethyl) phenyl) (phenyl) methanol
RG-E140721-01	(2- (2-hydroxypropan-2-yl) phenyl) (phenyl) methanone
FH 1R W011-01	2-[2-[[2- (cyanomethyl) phenyl]methyl]phenyl]acetonitrile