2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C14H9N3O3S — CID 116697062

IUPAC2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H,16,18)(H,19,20)
InChIKeyGUUYZZWLTIRKQT-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697062) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697062
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H,16,18)(H,19,20)
InChIKeyGUUYZZWLTIRKQT-UHFFFAOYSA-N
XLogP2.64
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
methyl N-quinolin-3-ylcarbamate
CID 19697860

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116697062) is 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GUUYZZWLTIRKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H,16,18)(H,19,20).
What are the key properties of 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).