2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid

C13H9N3O2S — CID 45493814

IUPAC2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C13H9N3O2S/c17-12(18)11-7-19-13(16-11)15-10-5-1-4-9-8(10)3-2-6-14-9/h1-7H,(H,15,16)(H,17,18)
InChIKeyLLPYDLLSSUPBFA-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.13
Rot. Bonds3

About 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid

2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 45493814) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID45493814
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C13H9N3O2S/c17-12(18)11-7-19-13(16-11)15-10-5-1-4-9-8(10)3-2-6-14-9/h1-7H,(H,15,16)(H,17,18)
InChIKeyLLPYDLLSSUPBFA-UHFFFAOYSA-N
XLogP3.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(quinolin-5-ylamino)-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

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid (CID 45493814) is 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2cccc3ncccc23)n1.
What is the InChIKey of 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LLPYDLLSSUPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-12(18)11-7-19-13(16-11)15-10-5-1-4-9-8(10)3-2-6-14-9/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 45493814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).