N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 669960
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: c1(nc(sc1)CCC)C(=O)N(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1csc(n1)CCC)Cc1ccc(cc1)C
• InChI: InChI=1S/C18H24N2O2S/c1-4-5-17-19-16(13-23-17)18(21)20(10-11-22-3)12-15-8-6-14(2)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
• InChIKey: WFXGFFKNLKVBOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(4-methylbenzyl)-2-propyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7749674
• LogD (pH = 7.4): 3.7749696
• Log P: 3.7749696
• Molar Refractivity: 94.1321 cm^3
• Polarizability: 35.810383 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.64
• LOG S: -3.88
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8