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

C14H14FNOS — CID 158614150

IUPAC1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone
SMILESCC(=O)c1nsc(C)c1CCc1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-9(17)14-13(10(2)18-16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8H2,1-2H3
InChIKeyQJCLOCJQELLGGT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.58
Rot. Bonds4

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

1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone (PubChem CID 158614150) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone
PubChem CID158614150
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone
SMILESCC(=O)c1nsc(C)c1CCc1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-9(17)14-13(10(2)18-16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8H2,1-2H3
InChIKeyQJCLOCJQELLGGT-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone (CID 158614150) is 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone is CC(=O)c1nsc(C)c1CCc1ccc(F)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
The InChIKey is QJCLOCJQELLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-9(17)14-13(10(2)18-16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone?
1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-thiazol-3-yl]ethanone is sourced from PubChem (CID 158614150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).