N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-3-(pyridin-3-yl)propanamide

• ChemBase ID: 602709
• Molecular Formular: C15H16N4OS
• Molecular Mass: 300.37874
• Monoisotopic Mass: 300.10448215
• SMILES: c12n(cc(n1)CNC(=O)CCc1cnccc1)cc(s2)C
• Canonical SMILES: O=C(CCc1cccnc1)NCc1cn2c(n1)sc(c2)C
• InChI: InChI=1S/C15H16N4OS/c1-11-9-19-10-13(18-15(19)21-11)8-17-14(20)5-4-12-3-2-6-16-7-12/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,17,20)
• InChIKey: XZGSOHDEHDHSEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-3-(pyridin-3-yl)propanamide
• IUPAC Traditional name: N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-3-(pyridin-3-yl)propanamide
• Synonyms: N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.95373
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4112115
• LogD (pH = 7.4): 1.5248108
• Log P: 1.5264345
• Molar Refractivity: 93.1297 cm^3
• Polarizability: 31.012669 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -1.71
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5