1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone

C12H9ClFNOS — CID 116867500

IUPAC1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)c(C)cc2Cl)cs1
InChIInChI=1S/C12H9ClFNOS/c1-6-3-9(13)8(4-10(6)14)11-5-17-12(15-11)7(2)16/h3-5H,1-2H3
InChIKeyKJWQNMXLOJUQMI-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.11
Rot. Bonds2

About 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 116867500) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID116867500
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)c(C)cc2Cl)cs1
InChIInChI=1S/C12H9ClFNOS/c1-6-3-9(13)8(4-10(6)14)11-5-17-12(15-11)7(2)16/h3-5H,1-2H3
InChIKeyKJWQNMXLOJUQMI-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82301242
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone (CID 116867500) is 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2cc(F)c(C)cc2Cl)cs1.
What is the InChIKey of 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is KJWQNMXLOJUQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-6-3-9(13)8(4-10(6)14)11-5-17-12(15-11)7(2)16/h3-5H,1-2H3.
What are the key properties of 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 116867500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).