2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid

C9H5FN2O2S — CID 71695287

IUPAC2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ncccc2F)n1
InChIInChI=1S/C9H5FN2O2S/c10-5-2-1-3-11-7(5)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyKNLXDRWBMCSBJL-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.04
Rot. Bonds2

About 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid

2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 71695287) has the molecular formula C9H5FN2O2S and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID71695287
Molecular FormulaC9H5FN2O2S
Molecular Weight224.22 g/mol
Exact Mass224.01
IUPAC Name2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ncccc2F)n1
InChIInChI=1S/C9H5FN2O2S/c10-5-2-1-3-11-7(5)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyKNLXDRWBMCSBJL-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 71695287) is 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ncccc2F)n1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KNLXDRWBMCSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O2S/c10-5-2-1-3-11-7(5)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14).
What are the key properties of 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 71695287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).