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

C11H8FNOS — CID 22313830

IUPAC1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cscn2)c(F)c1
InChIInChI=1S/C11H8FNOS/c1-7(14)8-2-3-9(10(12)4-8)11-5-15-6-13-11/h2-6H,1H3
InChIKeyFUKDIINESUCCJC-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.15
Rot. Bonds2

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

1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone (PubChem CID 22313830) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone
PubChem CID22313830
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cscn2)c(F)c1
InChIInChI=1S/C11H8FNOS/c1-7(14)8-2-3-9(10(12)4-8)11-5-15-6-13-11/h2-6H,1H3
InChIKeyFUKDIINESUCCJC-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone (CID 22313830) is 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cscn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The InChIKey is FUKDIINESUCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c1-7(14)8-2-3-9(10(12)4-8)11-5-15-6-13-11/h2-6H,1H3.
What are the key properties of 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone?
1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone has a molecular weight of 221.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 22313830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).