3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C12H10ClNO2S — CID 62025800

IUPAC3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3
InChIKeyAFVSXVNGMRQYCN-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.75
Rot. Bonds3

About 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62025800) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62025800
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3
InChIKeyAFVSXVNGMRQYCN-UHFFFAOYSA-N
XLogP2.75
TPSA39.07 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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025239
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-phenyl-N-propan-2-ylacetamide
CID 87037715
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile
CID 122158284
3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 78832417
(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813224
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 9192798

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 62025800) is 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)c1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is AFVSXVNGMRQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8-7-17-12(16)14(8)6-11(15)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3.
What are the key properties of 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 267.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).