2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114267
• Molecular Formular: C11H9N3S
• Molecular Mass: 215.27426
• Monoisotopic Mass: 215.0517183
• SMILES: c1(c(n2c(n1)cccc2)N)c1sccc1
• Canonical SMILES: Nc1c(nc2n1cccc2)c1cccs1
• InChI: InChI=1S/C11H9N3S/c12-11-10(8-4-3-7-15-8)13-9-5-1-2-6-14(9)11/h1-7H,12H2
• InChIKey: LUZIWUCNVIOBGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(2-thienyl)imidazo[1,2-{a}]pyridin-3-amine; 2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD15732273
• PubChem SID: 162099588
• PubChem CID: 33676282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.72298837
• LogD (pH = 7.4): 1.7412615
• Log P: 1.8301382
• Molar Refractivity: 61.5442 cm^3
• Polarizability: 24.036644 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Partition Coefficient: 1.586
• Hydrophobicity(logP): 3.089

Product Information

• Purity: 95%; 95+%