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

• ChemBase ID: 522004
• Molecular Formular: C17H20N2O2S
• Molecular Mass: 316.4179
• Monoisotopic Mass: 316.12454889
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)C2CC2)c(nc(s1)C)C
• Canonical SMILES: COc1ccccc1CN(C(=O)c1sc(nc1C)C)C1CC1
• InChI: InChI=1S/C17H20N2O2S/c1-11-16(22-12(2)18-11)17(20)19(14-8-9-14)10-13-6-4-5-7-15(13)21-3/h4-7,14H,8-10H2,1-3H3
• InChIKey: JLIUCKBEBWVFRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3491836
• LogD (pH = 7.4): 2.3492706
• Log P: 2.3492718
• Molar Refractivity: 87.2415 cm^3
• Polarizability: 33.230797 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.79
• LOG S: -3.89
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5