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

C12H10FNOS — CID 64543606

IUPAC1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C12H10FNOS/c1-7-5-9(3-4-10(7)13)12-14-11(6-16-12)8(2)15/h3-6H,1-2H3
InChIKeyQAWAFFMPUJIDKK-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.46
Rot. Bonds2

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

1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543606) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543606
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C12H10FNOS/c1-7-5-9(3-4-10(7)13)12-14-11(6-16-12)8(2)15/h3-6H,1-2H3
InChIKeyQAWAFFMPUJIDKK-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542794
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
CID 116891657
1-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazol-4-yl]ethanone
CID 2746991
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 64543606) is 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is QAWAFFMPUJIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-7-5-9(3-4-10(7)13)12-14-11(6-16-12)8(2)15/h3-6H,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 235.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).