6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid

C13H6F2N2O2S — CID 64988724

IUPAC6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)nc2c(F)cc(F)cc12
InChIInChI=1S/C13H6F2N2O2S/c14-6-3-7-8(13(18)19)5-10(12-16-1-2-20-12)17-11(7)9(15)4-6/h1-5H,(H,18,19)
InChIKeyGBXHVHDLRZWGHN-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.33
Rot. Bonds2

About 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid

6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid (PubChem CID 64988724) has the molecular formula C13H6F2N2O2S and a molecular weight of 292.27 g/mol. Its IUPAC name is 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
PubChem CID64988724
Molecular FormulaC13H6F2N2O2S
Molecular Weight292.27 g/mol
Exact Mass292.01
IUPAC Name6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)nc2c(F)cc(F)cc12
InChIInChI=1S/C13H6F2N2O2S/c14-6-3-7-8(13(18)19)5-10(12-16-1-2-20-12)17-11(7)9(15)4-6/h1-5H,(H,18,19)
InChIKeyGBXHVHDLRZWGHN-UHFFFAOYSA-N
XLogP3.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988325
7-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988226
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
CID 107354659
4-amino-6,8-difluoroquinoline-3-carboxylic acid
CID 46397763
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
5,8-difluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 83215779
8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83119404
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
CID 82184176

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid (CID 64988724) is 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2nccs2)nc2c(F)cc(F)cc12.
What is the InChIKey of 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
The InChIKey is GBXHVHDLRZWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F2N2O2S/c14-6-3-7-8(13(18)19)5-10(12-16-1-2-20-12)17-11(7)9(15)4-6/h1-5H,(H,18,19).
What are the key properties of 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid?
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 64988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).