N-methyl-N-(2-phenylethyl)-5-[(3-propoxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 763800
• Molecular Formular: C24H32N4O2S
• Molecular Mass: 440.60148
• Monoisotopic Mass: 440.22459728
• SMILES: c1(c(n2c(n1)scc2)CN1CC(OCCC)CCC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CCCOC1CCCN(C1)Cc1c(nc2n1ccs2)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C24H32N4O2S/c1-3-15-30-20-10-7-12-27(17-20)18-21-22(25-24-28(21)14-16-31-24)23(29)26(2)13-11-19-8-5-4-6-9-19/h4-6,8-9,14,16,20H,3,7,10-13,15,17-18H2,1-2H3
• InChIKey: SECAFYFUNMBPDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)-5-[(3-propoxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)-5-[(3-propoxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-methyl-N-(2-phenylethyl)-5-[(3-propoxy-1-piperidinyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 137.3273 cm^3
• Polarizability: 47.993465 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.052
• LogD (pH = 7.4): 3.4758701
• Log P: 3.6495452

供应商提供(Chembridge)

• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0
• Log P: 3.31
• LOG S: -3.83