methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine

• ChemBase ID: 620187
• Molecular Formular: C18H23N5OS
• Molecular Mass: 357.47312
• Monoisotopic Mass: 357.16233138
• SMILES: c1(n2c(nc1C)cccc2)CN(Cc1sc(nc1)N1CCOCC1)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C18H23N5OS/c1-14-16(23-6-4-3-5-17(23)20-14)13-21(2)12-15-11-19-18(25-15)22-7-9-24-10-8-22/h3-6,11H,7-10,12-13H2,1-2H3
• InChIKey: OXNPQYZUXIJSEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine
• IUPAC Traditional name: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}amine
• Synonyms: N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.19482593
• LogD (pH = 7.4): 1.5535018
• Log P: 1.8418162
• Molar Refractivity: 101.5296 cm^3
• Polarizability: 37.938484 Å^3
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.98
• LOG S: -1.64
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 5