1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone

C13H12FNOS — CID 158614146

IUPAC1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone
SMILESCC(=O)c1nsc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNOS/c1-8(16)13-12(9(2)17-15-13)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3
InChIKeyJRKXPLFOWXPLHJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.38
Rot. Bonds3

About 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone

1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone (PubChem CID 158614146) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone
PubChem CID158614146
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone
SMILESCC(=O)c1nsc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNOS/c1-8(16)13-12(9(2)17-15-13)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3
InChIKeyJRKXPLFOWXPLHJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone (CID 158614146) is 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone is CC(=O)c1nsc(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The InChIKey is JRKXPLFOWXPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-8(16)13-12(9(2)17-15-13)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2-thiazol-3-yl]ethanone is sourced from PubChem (CID 158614146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).