3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid

C18H15FN2O2S — CID 118533519

IUPAC3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3ccncc3)c2)s1
InChIInChI=1S/C18H15FN2O2S/c1-11-10-21-18(24-11)16(9-17(22)23)14-6-13(7-15(19)8-14)12-2-4-20-5-3-12/h2-8,10,16H,9H2,1H3,(H,22,23)
InChIKeyKEYKPSAPVKCXGS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.26
Rot. Bonds5

About 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid

3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 118533519) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID118533519
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3ccncc3)c2)s1
InChIInChI=1S/C18H15FN2O2S/c1-11-10-21-18(24-11)16(9-17(22)23)14-6-13(7-15(19)8-14)12-2-4-20-5-3-12/h2-8,10,16H,9H2,1H3,(H,22,23)
InChIKeyKEYKPSAPVKCXGS-UHFFFAOYSA-N
XLogP4.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (CID 118533519) is 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1cnc(C(CC(=O)O)c2cc(F)cc(-c3ccncc3)c2)s1.
What is the InChIKey of 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is KEYKPSAPVKCXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11-10-21-18(24-11)16(9-17(22)23)14-6-13(7-15(19)8-14)12-2-4-20-5-3-12/h2-8,10,16H,9H2,1H3,(H,22,23).
What are the key properties of 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-pyridin-4-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 118533519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).