2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid

C13H8N2O3S — CID 23651846

IUPAC2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H8N2O3S/c16-11(12-15-10(6-19-12)13(17)18)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H,17,18)
InChIKeyFWXYUFQKPJMQEC-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.55
Rot. Bonds3

About 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 23651846) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID23651846
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H8N2O3S/c16-11(12-15-10(6-19-12)13(17)18)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H,17,18)
InChIKeyFWXYUFQKPJMQEC-UHFFFAOYSA-N
XLogP2.55
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 23651846) is 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FWXYUFQKPJMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11(12-15-10(6-19-12)13(17)18)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H,17,18).
What are the key properties of 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 23651846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).