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

C11H8FNOS — CID 64542603

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNOS/c1-7(14)10-6-15-11(13-10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyQDZMYTGHCJVODG-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.15
Rot. Bonds2

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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64542603) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64542603
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNOS/c1-7(14)10-6-15-11(13-10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyQDZMYTGHCJVODG-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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Related Compounds

methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
1-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79712444
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
1-[2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]ethanone;(2,3,4,5,6-pentafluorophenyl) 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxylate
CID 159383189
1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
CID 64770332
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone (CID 64542603) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is QDZMYTGHCJVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c1-7(14)10-6-15-11(13-10)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]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-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64542603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).