2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C14H9N3O3S — CID 116697056

IUPAC2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H,16,18)(H,19,20)
InChIKeyRFGNAOAIWRUYTN-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697056) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697056
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H,16,18)(H,19,20)
InChIKeyRFGNAOAIWRUYTN-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

Analyze 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697062
N-quinolin-6-ylbenzamide
CID 833617
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
CID 60783620
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116697056) is 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RFGNAOAIWRUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-12(13-17-11(7-21-13)14(19)20)16-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H,16,18)(H,19,20).
What are the key properties of 2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(quinolin-6-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-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).