2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid

C11H12N2O2S — CID 102625233

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1cccc2nccn12)C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyLGUPMDXLUWJDEL-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.29
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid

2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid (PubChem CID 102625233) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
PubChem CID102625233
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1cccc2nccn12)C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyLGUPMDXLUWJDEL-UHFFFAOYSA-N
XLogP2.29
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic 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-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid (CID 102625233) is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid is CC(C)(Sc1cccc2nccn12)C(=O)O.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
The InChIKey is LGUPMDXLUWJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,10(14)15)16-9-5-3-4-8-12-6-7-13(8)9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid?
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid has a molecular weight of 236.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 102625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).