1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one

C12H10FNOS — CID 89465890

IUPAC1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one
SMILESCCC(=O)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNOS/c1-2-10(15)12-14-7-11(16-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZGDVEOFWRKXHTJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.54
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one

1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one (PubChem CID 89465890) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one
PubChem CID89465890
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one
SMILESCCC(=O)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FNOS/c1-2-10(15)12-14-7-11(16-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZGDVEOFWRKXHTJ-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one (CID 89465890) is 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one is CCC(=O)c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one?
The InChIKey is ZGDVEOFWRKXHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-2-10(15)12-14-7-11(16-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one?
1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one has a molecular weight of 235.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]propan-1-one is sourced from PubChem (CID 89465890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).