N,4-diethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 521526
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c1(c(nc(s1)C)CC)C(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)CC
• Canonical SMILES: CCN(C(=O)c1sc(nc1CC)C)CCc1nc2c([nH]1)ccc(c2)OC
• InChI: InChI=1S/C19H24N4O2S/c1-5-14-18(26-12(3)20-14)19(24)23(6-2)10-9-17-21-15-8-7-13(25-4)11-16(15)22-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,22)
• InChIKey: ZUTZNDVPGQERTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-diethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N,4-diethyl-N-[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
• Synonyms: N,4-diethyl-N-[2-(5-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.138741
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0806112
• LogD (pH = 7.4): 2.5266545
• Log P: 2.5374885
• Molar Refractivity: 102.3427 cm^3
• Polarizability: 40.104084 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -4.34
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7