methyl[1-(4-methylpyridin-2-yl)propan-2-yl]{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}amine

• ChemBase ID: 404328
• Molecular Formular: C18H26N4S
• Molecular Mass: 330.49084
• Monoisotopic Mass: 330.18781785
• SMILES: c1(ncc(s1)CN(C(Cc1nccc(c1)C)C)C)N1CCCC1
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)Cc1cnc(s1)N1CCCC1
• InChI: InChI=1S/C18H26N4S/c1-14-6-7-19-16(10-14)11-15(2)21(3)13-17-12-20-18(23-17)22-8-4-5-9-22/h6-7,10,12,15H,4-5,8-9,11,13H2,1-3H3
• InChIKey: QQGCAQLJIVZSKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(4-methylpyridin-2-yl)propan-2-yl]{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}amine
• IUPAC Traditional name: methyl[1-(4-methylpyridin-2-yl)propan-2-yl]{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}amine
• Synonyms: N-methyl-1-(4-methylpyridin-2-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.75510234
• LogD (pH = 7.4): 2.5474353
• Log P: 3.6592479
• Molar Refractivity: 97.129 cm^3
• Polarizability: 36.985207 Å^3
• Polar Surface Area: 32.26 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: 1.92
• LOG S: -0.94
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6