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

C11H8FNOS — CID 19909712

IUPAC1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccc(F)cc1
InChIInChI=1S/C11H8FNOS/c12-9-3-1-8(2-4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2
InChIKeyAFDNQTUYMHKZQX-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.71
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 19909712) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID19909712
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccc(F)cc1
InChIInChI=1S/C11H8FNOS/c12-9-3-1-8(2-4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2
InChIKeyAFDNQTUYMHKZQX-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone (CID 19909712) is 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is AFDNQTUYMHKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c12-9-3-1-8(2-4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 19909712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).