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

• ChemBase ID: 475868
• Molecular Formular: C22H33N5O2S
• Molecular Mass: 431.59472
• Monoisotopic Mass: 431.23549632
• SMILES: c12n(c(c(n1)C)CN1CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC1)ccs2
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)C1CCN(CC1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C22H33N5O2S/c1-17-20(27-12-15-30-22(27)23-17)16-24-6-4-19(5-7-24)25-8-2-18(3-9-25)21(28)26-10-13-29-14-11-26/h12,15,18-19H,2-11,13-14,16H2,1H3
• InChIKey: CWJNBBTUEXUWAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]piperidine-4-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]piperidine-4-carbonyl}morpholine
• Synonyms: 1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.8771887
• LogD (pH = 7.4): -2.0828962
• Log P: 0.30784464
• Molar Refractivity: 131.0472 cm^3
• Polarizability: 45.984417 Å^3
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.28
• LOG S: -0.87
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 4