3-{imidazo[1,2-a]pyridin-2-yl}-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}propanamide

• ChemBase ID: 850297
• Molecular Formular: C18H22N4OS
• Molecular Mass: 342.45848
• Monoisotopic Mass: 342.15143234
• SMILES: n1c(scc1CN(C(=O)CCc1nc2n(c1)cccc2)C)C(C)C
• Canonical SMILES: CN(C(=O)CCc1nc2n(c1)cccc2)Cc1csc(n1)C(C)C
• InChI: InChI=1S/C18H22N4OS/c1-13(2)18-20-15(12-24-18)10-21(3)17(23)8-7-14-11-22-9-5-4-6-16(22)19-14/h4-6,9,11-13H,7-8,10H2,1-3H3
• InChIKey: LCJFNGYQQQDEBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-methyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylpropanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.447545
• LogD (pH = 7.4): 2.1601372
• Log P: 2.1875165
• Molar Refractivity: 95.9777 cm^3
• Polarizability: 36.51532 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.9
• LOG S: -3.32
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 6