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

C12H10FNOS — CID 115089550

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNOS/c1-8(15)6-11-7-16-12(14-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyVHMXCXYDRDZXDZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.08
Rot. Bonds3

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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115089550) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID115089550
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNOS/c1-8(15)6-11-7-16-12(14-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyVHMXCXYDRDZXDZ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one (CID 115089550) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is VHMXCXYDRDZXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-8(15)6-11-7-16-12(14-11)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 235.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115089550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).