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

• ChemBase ID: 396941
• Molecular Formular: C23H23N3OS
• Molecular Mass: 389.51322
• Monoisotopic Mass: 389.15618337
• SMILES: c12n(c(c(n1)C)CN1CC(C(=O)c3c4c(ccc3)cccc4)CCC1)ccs2
• Canonical SMILES: O=C(c1cccc2c1cccc2)C1CCCN(C1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C23H23N3OS/c1-16-21(26-12-13-28-23(26)24-16)15-25-11-5-8-18(14-25)22(27)20-10-4-7-17-6-2-3-9-19(17)20/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3
• InChIKey: LTPITDBVDCRCSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-3-(naphthalene-1-carbonyl)piperidine
• IUPAC Traditional name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-3-(naphthalene-1-carbonyl)piperidine
• Synonyms: {1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-piperidinyl}(1-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.280476
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6810735
• LogD (pH = 7.4): 3.3537037
• Log P: 3.7587528
• Molar Refractivity: 125.0193 cm^3
• Polarizability: 44.59271 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.58
• LOG S: -4.46
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4