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

C12H10FNOS — CID 107931854

IUPAC1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C12H10FNOS/c1-7-3-4-10(13)9(5-7)12-14-6-11(16-12)8(2)15/h3-6H,1-2H3
InChIKeyNMBJTNIRQGFGAZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.46
Rot. Bonds2

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

1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 107931854) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID107931854
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C12H10FNOS/c1-7-3-4-10(13)9(5-7)12-14-6-11(16-12)8(2)15/h3-6H,1-2H3
InChIKeyNMBJTNIRQGFGAZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone (CID 107931854) is 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2cc(C)ccc2F)s1.
What is the InChIKey of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is NMBJTNIRQGFGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-7-3-4-10(13)9(5-7)12-14-6-11(16-12)8(2)15/h3-6H,1-2H3.
What are the key properties of 1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-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-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 107931854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).