methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine

• ChemBase ID: 420171
• Molecular Formular: C20H28N4OS
• Molecular Mass: 372.52752
• Monoisotopic Mass: 372.19838254
• SMILES: c12n(c(c(n1)C)CN(CC1CCN(Cc3oc(cc3)C)CC1)C)ccs2
• Canonical SMILES: CN(Cc1c(C)nc2n1ccs2)CC1CCN(CC1)Cc1ccc(o1)C
• InChI: InChI=1S/C20H28N4OS/c1-15-4-5-18(25-15)13-23-8-6-17(7-9-23)12-22(3)14-19-16(2)21-20-24(19)10-11-26-20/h4-5,10-11,17H,6-9,12-14H2,1-3H3
• InChIKey: ACEVKVOZMFEFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine
• IUPAC Traditional name: methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine
• Synonyms: N-methyl-1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.90624
• LogD (pH = 7.4): -0.5609282
• Log P: 2.2577069
• Molar Refractivity: 118.9464 cm^3
• Polarizability: 40.85118 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.39
• LOG S: -3.15
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 6