1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H10ClNOS — CID 62800198

IUPAC1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClNOS/c1-8-14-9(7-16-8)6-12(15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChIKeyNWQFSXWNULIWHB-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 62800198) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID62800198
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClNOS/c1-8-14-9(7-16-8)6-12(15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChIKeyNWQFSXWNULIWHB-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107512597
[2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731957
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107469186
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114744076
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 62800198) is 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2ccccc2Cl)cs1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is NWQFSXWNULIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8-14-9(7-16-8)6-12(15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 62800198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).