1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone

C12H10ClNO2S — CID 116890216

IUPAC1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCOc1ccc(-c2nc(C(C)=O)cs2)c(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-7(15)11-6-17-12(14-11)9-4-3-8(16-2)5-10(9)13/h3-6H,1-2H3
InChIKeyZSCHFQKTJPUEQQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.67
Rot. Bonds3

About 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone

1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 116890216) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID116890216
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCOc1ccc(-c2nc(C(C)=O)cs2)c(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-7(15)11-6-17-12(14-11)9-4-3-8(16-2)5-10(9)13/h3-6H,1-2H3
InChIKeyZSCHFQKTJPUEQQ-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
2-(2-chloro-4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42866186
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 42865736
2-[4-(2-chloro-4-methoxyphenyl)phenyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
CID 89454743
methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 71884537
1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 2745414
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
1-[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79780905
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone (CID 116890216) is 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone is COc1ccc(-c2nc(C(C)=O)cs2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZSCHFQKTJPUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7(15)11-6-17-12(14-11)9-4-3-8(16-2)5-10(9)13/h3-6H,1-2H3.
What are the key properties of 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 267.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 116890216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).