4-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyl-N-propyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 348700
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: c1(C(=O)N(Cc2ccc(cc2)OC)CCC)c(nc(s1)C)CC
• Canonical SMILES: CCCN(C(=O)c1sc(nc1CC)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C18H24N2O2S/c1-5-11-20(12-14-7-9-15(22-4)10-8-14)18(21)17-16(6-2)19-13(3)23-17/h7-10H,5-6,11-12H2,1-4H3
• InChIKey: NTDRZMCVUDVKDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyl-N-propyl-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 4-ethyl-N-[(4-methoxyphenyl)methyl]-2-methyl-N-propyl-1,3-thiazole-5-carboxamide
• Synonyms: 4-ethyl-N-(4-methoxybenzyl)-2-methyl-N-propyl-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4634972
• LogD (pH = 7.4): 3.4635725
• Log P: 3.4635735
• Molar Refractivity: 93.9298 cm^3
• Polarizability: 35.79133 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.03
• LOG S: -5.06
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7