6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid

C13H7FN2O2S — CID 64988325

IUPAC6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)nc2ccc(F)cc12
InChIInChI=1S/C13H7FN2O2S/c14-7-1-2-10-8(5-7)9(13(17)18)6-11(16-10)12-15-3-4-19-12/h1-6H,(H,17,18)
InChIKeyPZLNNMDMDYLHNS-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.20
Rot. Bonds2

About 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid

6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid (PubChem CID 64988325) has the molecular formula C13H7FN2O2S and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
PubChem CID64988325
Molecular FormulaC13H7FN2O2S
Molecular Weight274.28 g/mol
Exact Mass274.02
IUPAC Name6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)nc2ccc(F)cc12
InChIInChI=1S/C13H7FN2O2S/c14-7-1-2-10-8(5-7)9(13(17)18)6-11(16-10)12-15-3-4-19-12/h1-6H,(H,17,18)
InChIKeyPZLNNMDMDYLHNS-UHFFFAOYSA-N
XLogP3.20
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid (CID 64988325) is 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2nccs2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The InChIKey is PZLNNMDMDYLHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2S/c14-7-1-2-10-8(5-7)9(13(17)18)6-11(16-10)12-15-3-4-19-12/h1-6H,(H,17,18).
What are the key properties of 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 64988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).