4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazol-2-amine dihydrobromide

• ChemBase ID: 10831
• Molecular Formular: C11H12Br2N4S
• Molecular Mass: 392.11278
• Monoisotopic Mass: 389.9149414
• SMILES: c1(c2nc(sc2)N)n2c(nc1C)cccc2.Br.Br
• Canonical SMILES: Nc1scc(n1)c1c(C)nc2n1cccc2.Br.Br
• InChI: InChI=1S/C11H10N4S.2BrH/c1-7-10(8-6-16-11(12)14-8)15-5-3-2-4-9(15)13-7;;/h2-6H,1H3,(H2,12,14);2*1H
• InChIKey: BBAPLOXSVGVGSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazol-2-amine dihydrobromide
• IUPAC Traditional name: 4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazol-2-amine dihydrobromide
• Synonyms: 4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamine dihydrobromide

Database IDs

• MDL Number: MFCD01466796
• PubChem SID: 160974138
• PubChem CID: 45074735

CALCULATED PROPERTIES

• Acid pKa: 16.56244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1342074
• LogD (pH = 7.4): 1.3543777
• Log P: 1.3581133
• Molar Refractivity: 64.5517 cm^3
• Polarizability: 24.895582 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false