N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 502052
• Molecular Formular: C17H22N2O2S
• Molecular Mass: 318.43378
• Monoisotopic Mass: 318.14019895
• SMILES: c1(c(nc(s1)C)C)C(=O)N(CCOc1cc(cc(c1)C)C)C
• Canonical SMILES: Cc1sc(c(n1)C)C(=O)N(CCOc1cc(C)cc(c1)C)C
• InChI: InChI=1S/C17H22N2O2S/c1-11-8-12(2)10-15(9-11)21-7-6-19(5)17(20)16-13(3)18-14(4)22-16/h8-10H,6-7H2,1-5H3
• InChIKey: AXJHVQDNUKDBGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
• Synonyms: N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9877079
• LogD (pH = 7.4): 2.9877965
• Log P: 2.9877977
• Molar Refractivity: 89.5891 cm^3
• Polarizability: 33.806023 Å^3
• Polar Surface Area: 42.43 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 3.59
• LOG S: -4.59
• Polar Surface Area: 42.43 Å^2