2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid

C10H7FN2O2S — CID 83295852

IUPAC2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cncc(F)c2)n1
InChIInChI=1S/C10H7FN2O2S/c11-7-1-6(3-12-4-7)10-13-8(5-16-10)2-9(14)15/h1,3-5H,2H2,(H,14,15)
InChIKeyPXISUDLXEUMOQM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 83295852) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID83295852
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cncc(F)c2)n1
InChIInChI=1S/C10H7FN2O2S/c11-7-1-6(3-12-4-7)10-13-8(5-16-10)2-9(14)15/h1,3-5H,2H2,(H,14,15)
InChIKeyPXISUDLXEUMOQM-UHFFFAOYSA-N
XLogP1.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
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CID 62308557
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-propylamino]acetic acid
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1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
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2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid (CID 83295852) is 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2cncc(F)c2)n1.
What is the InChIKey of 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PXISUDLXEUMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-7-1-6(3-12-4-7)10-13-8(5-16-10)2-9(14)15/h1,3-5H,2H2,(H,14,15).
What are the key properties of 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 83295852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).