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

C15H13N3O2S — CID 107645118

IUPAC2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSc1ccccc1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H13N3O2S/c1-21-11-7-3-2-6-10(11)16-14-13(15(19)20)18-9-5-4-8-12(18)17-14/h2-9,16H,1H3,(H,19,20)
InChIKeyRXVFZLSUWAHVCI-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.50
Rot. Bonds4

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

2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 107645118) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID107645118
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSc1ccccc1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H13N3O2S/c1-21-11-7-3-2-6-10(11)16-14-13(15(19)20)18-9-5-4-8-12(18)17-14/h2-9,16H,1H3,(H,19,20)
InChIKeyRXVFZLSUWAHVCI-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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Related Compounds

2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63528502
2-[(4-methyl-3-pyridinyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63327723
2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63529012
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 81280290
2-(3,4-dichloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63536957
2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114116516
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63537134
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63538999
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 107645118) is 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is CSc1ccccc1Nc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RXVFZLSUWAHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21-11-7-3-2-6-10(11)16-14-13(15(19)20)18-9-5-4-8-12(18)17-14/h2-9,16H,1H3,(H,19,20).
What are the key properties of 2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-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-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 107645118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).