[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid

C11H6N2O2S — CID 11424722

IUPAC[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2cc3cnsc3nc12
InChIInChI=1S/C11H6N2O2S/c14-11(15)8-3-1-2-6-4-7-5-12-16-10(7)13-9(6)8/h1-5H,(H,14,15)
InChIKeyILDGBSVWBZVZQW-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.54
Rot. Bonds1

About [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid

[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid (PubChem CID 11424722) has the molecular formula C11H6N2O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid
PubChem CID11424722
Molecular FormulaC11H6N2O2S
Molecular Weight230.25 g/mol
Exact Mass230.01
IUPAC Name[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2cc3cnsc3nc12
InChIInChI=1S/C11H6N2O2S/c14-11(15)8-3-1-2-6-4-7-5-12-16-10(7)13-9(6)8/h1-5H,(H,14,15)
InChIKeyILDGBSVWBZVZQW-UHFFFAOYSA-N
XLogP2.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodoquinoline-8-carboxylic acid
CID 130624702
3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
CID 159563478
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
quinazoline-2,8-dicarboxylic acid
CID 54041183
quinoline-2,8-dicarboxylic acid
CID 19033995
3-phenylquinoline-2,8-dicarboxylic acid
CID 15456153
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
1,5-dimethylacridine-4-carboxylic acid
CID 10634490
palladium;quinoline-8-carboxylic acid
CID 174945118
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene;phthalic acid
CID 158069637
bis(2-methylquinoline-8-carboxylic acid);2,4,6-trimethylphenol
CID 172818864

Frequently Asked Questions

What is the IUPAC name of [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid?
The IUPAC name of [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid (CID 11424722) is [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid.
What is the SMILES notation for [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid?
The canonical SMILES for [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid is O=C(O)c1cccc2cc3cnsc3nc12.
What is the InChIKey of [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid?
The InChIKey is ILDGBSVWBZVZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2S/c14-11(15)8-3-1-2-6-4-7-5-12-16-10(7)13-9(6)8/h1-5H,(H,14,15).
What are the key properties of [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid?
[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid has a molecular weight of 230.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid is sourced from PubChem (CID 11424722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).