2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid

C11H8FNO3S — CID 16768197

IUPAC2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(F)cc2)csc1=O
InChIInChI=1S/C11H8FNO3S/c12-8-3-1-7(2-4-8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyTZSOWWLWKGHGBT-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid

2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 16768197) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID16768197
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(F)cc2)csc1=O
InChIInChI=1S/C11H8FNO3S/c12-8-3-1-7(2-4-8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyTZSOWWLWKGHGBT-UHFFFAOYSA-N
XLogP1.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 16768197) is 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is O=C(O)Cn1c(-c2ccc(F)cc2)csc1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is TZSOWWLWKGHGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-8-3-1-7(2-4-8)9-6-17-11(16)13(9)5-10(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 16768197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).