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

C10H7FN2O2S — CID 83131751

IUPAC2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cn2)cs1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-2-7(12-4-6)8-5-16-9(13-8)3-10(14)15/h1-2,4-5H,3H2,(H,14,15)
InChIKeyBNQUZCCTNSVEBR-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.97
Rot. Bonds3

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

2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 83131751) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID83131751
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cn2)cs1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-2-7(12-4-6)8-5-16-9(13-8)3-10(14)15/h1-2,4-5H,3H2,(H,14,15)
InChIKeyBNQUZCCTNSVEBR-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

1-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 83119834
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 83119835
2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 112623637
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965645
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116969262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid (CID 83131751) is 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cn2)cs1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is BNQUZCCTNSVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-1-2-7(12-4-6)8-5-16-9(13-8)3-10(14)15/h1-2,4-5H,3H2,(H,14,15).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-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-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 83131751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).