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

C11H8ClNOS — CID 46785541

IUPAC1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C11H8ClNOS/c1-7(14)11-13-10(6-15-11)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyJSRKUEJAAASIHC-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.67
Rot. Bonds2

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

1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 46785541) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID46785541
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C11H8ClNOS/c1-7(14)11-13-10(6-15-11)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyJSRKUEJAAASIHC-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone (CID 46785541) is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is JSRKUEJAAASIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7(14)11-13-10(6-15-11)8-4-2-3-5-9(8)12/h2-6H,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 237.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 46785541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).