N-methyl-5-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 539810
• Molecular Formular: C22H25N5OS2
• Molecular Mass: 439.5968
• Monoisotopic Mass: 439.15005245
• SMILES: c1(c(n2c(n1)scc2)CN(C(c1nccs1)C)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(c1nccs1)C)Cc1c(nc2n1ccs2)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C22H25N5OS2/c1-16(20-23-10-13-29-20)26(3)15-18-19(24-22-27(18)12-14-30-22)21(28)25(2)11-9-17-7-5-4-6-8-17/h4-8,10,12-14,16H,9,11,15H2,1-3H3
• InChIKey: FCAYPPPOMYVMGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-methyl-5-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-methyl-5-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.886126
• LogD (pH = 7.4): 3.3655076
• Log P: 3.3768222
• Molar Refractivity: 133.4419 cm^3
• Polarizability: 46.202854 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.12
• LOG S: -2.82
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 8