2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

C15H13N3O2S — CID 63528502

IUPAC2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSc1cccc(Nc2nc3ccccn3c2C(=O)O)c1
InChIInChI=1S/C15H13N3O2S/c1-21-11-6-4-5-10(9-11)16-14-13(15(19)20)18-8-3-2-7-12(18)17-14/h2-9,16H,1H3,(H,19,20)
InChIKeyWSNNGAJMHGBOIR-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63528502) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63528502
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSc1cccc(Nc2nc3ccccn3c2C(=O)O)c1
InChIInChI=1S/C15H13N3O2S/c1-21-11-6-4-5-10(9-11)16-14-13(15(19)20)18-8-3-2-7-12(18)17-14/h2-9,16H,1H3,(H,19,20)
InChIKeyWSNNGAJMHGBOIR-UHFFFAOYSA-N
XLogP3.50
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63528502) is 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is CSc1cccc(Nc2nc3ccccn3c2C(=O)O)c1.
What is the InChIKey of 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is WSNNGAJMHGBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21-11-6-4-5-10(9-11)16-14-13(15(19)20)18-8-3-2-7-12(18)17-14/h2-9,16H,1H3,(H,19,20).
What are the key properties of 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63528502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).