2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid

C13H8N2O2S — CID 63968874

IUPAC2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc3cccnc23)n1
InChIInChI=1S/C13H8N2O2S/c16-13(17)10-7-18-12(15-10)9-5-1-3-8-4-2-6-14-11(8)9/h1-7H,(H,16,17)
InChIKeyJULXYYMKWXKKOQ-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.06
Rot. Bonds2

About 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid

2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 63968874) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid
PubChem CID63968874
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc3cccnc23)n1
InChIInChI=1S/C13H8N2O2S/c16-13(17)10-7-18-12(15-10)9-5-1-3-8-4-2-6-14-11(8)9/h1-7H,(H,16,17)
InChIKeyJULXYYMKWXKKOQ-UHFFFAOYSA-N
XLogP3.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
2-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-1,3-thiazole-4-carboxylic acid;dihydrochloride
CID 68830888
2-(3-Pyridyl)thiazole-4-carboxylic acid
CID 736513
2-(Quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid
CID 45493814
2-[2-[[(2S)-3-isoquinolin-4-yl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 164629402
4-Thiazolecarboxylic acid, 2-[4-(trifluoromethyl)-3-pyridinyl]-
CID 57821998
2-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-1,3-thiazole-4-carboxylic acid
CID 68830889
2-(3-Fluoropyridin-4-yl)thiazole-4-carboxylic acid
CID 81749424
2-(2-Butyl-3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123631328
2-(2-(Difluoromethoxy)-7-methylquinoxalin-5-yl)thiazole-4-carboxylic acid
CID 134175506
4-[(6-Fluoroquinolin-8-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 149926635
US20250163075, Example 11
CID 176358230

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid (CID 63968874) is 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc3cccnc23)n1.
What is the InChIKey of 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JULXYYMKWXKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-13(17)10-7-18-12(15-10)9-5-1-3-8-4-2-6-14-11(8)9/h1-7H,(H,16,17).
What are the key properties of 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid?
2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 63968874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).