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

C14H14FNOS — CID 64770332

IUPAC1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FNOS/c1-9(17)12-8-18-13(16-12)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3
InChIKeyNOYKWHXKJWERBG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.81
Rot. Bonds3

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

1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 64770332) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
PubChem CID64770332
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FNOS/c1-9(17)12-8-18-13(16-12)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3
InChIKeyNOYKWHXKJWERBG-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone (CID 64770332) is 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is NOYKWHXKJWERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-9(17)12-8-18-13(16-12)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone?
1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64770332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).