N-(2H-1,3-benzodioxol-5-yl)-1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-amine

• ChemBase ID: 363046
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c12n(c(c(n1)C)CN1CC(Nc3cc4c(OCO4)cc3)CCC1)ccs2
• Canonical SMILES: Cc1nc2n(c1CN1CCCC(C1)Nc1ccc3c(c1)OCO3)ccs2
• InChI: InChI=1S/C19H22N4O2S/c1-13-16(23-7-8-26-19(23)20-13)11-22-6-2-3-15(10-22)21-14-4-5-17-18(9-14)25-12-24-17/h4-5,7-9,15,21H,2-3,6,10-12H2,1H3
• InChIKey: ZIRGPLCZACRVDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2H-1,3-benzodioxol-5-yl)-1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-amine
• IUPAC Traditional name: N-(2H-1,3-benzodioxol-5-yl)-1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-3-amine
• Synonyms: N-1,3-benzodioxol-5-yl-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.13420892
• LogD (pH = 7.4): 1.599964
• Log P: 2.1493158
• Molar Refractivity: 113.785 cm^3
• Polarizability: 38.79338 Å^3
• Polar Surface Area: 51.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.15
• LOG S: -3.65
• Polar Surface Area: 51.03 Å^2
• Rotatable Bonds: 4