2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid

C13H12FNO2S — CID 15163947

IUPAC2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid
SMILESCc1cnc(-c2ccc(C(C)C(=O)O)cc2F)s1
InChIInChI=1S/C13H12FNO2S/c1-7-6-15-12(18-7)10-4-3-9(5-11(10)14)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyXVGORAUAQLCFMY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.45
Rot. Bonds3

About 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid

2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid (PubChem CID 15163947) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid
PubChem CID15163947
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid
SMILESCc1cnc(-c2ccc(C(C)C(=O)O)cc2F)s1
InChIInChI=1S/C13H12FNO2S/c1-7-6-15-12(18-7)10-4-3-9(5-11(10)14)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyXVGORAUAQLCFMY-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid (CID 15163947) is 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid is Cc1cnc(-c2ccc(C(C)C(=O)O)cc2F)s1.
What is the InChIKey of 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
The InChIKey is XVGORAUAQLCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-6-15-12(18-7)10-4-3-9(5-11(10)14)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid?
2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 15163947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).