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

• ChemBase ID: 114273
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: c1(c(n2c(n1)c(ccc2)C)N)c1sccc1
• Canonical SMILES: Nc1c(nc2n1cccc2C)c1cccs1
• InChI: InChI=1S/C12H11N3S/c1-8-4-2-6-15-11(13)10(14-12(8)15)9-5-3-7-16-9/h2-7H,13H2,1H3
• InChIKey: LJJXYRMOQSFKNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 8-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 8-methyl-2-(2-thienyl)imidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD16652712
• PubChem SID: 162100550
• PubChem CID: 33676291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0956922
• LogD (pH = 7.4): 2.193798
• Log P: 2.3435595
• Molar Refractivity: 66.5854 cm^3
• Polarizability: 25.802416 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.63

Product Information

• Purity: 95+%