N-(2-methoxyethyl)-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 862372
• Molecular Formular: C15H19N3O2S
• Molecular Mass: 305.39526
• Monoisotopic Mass: 305.11979786
• SMILES: c1(C(=O)N(Cc2ccncc2)CCOC)c(nc(s1)C)C
• Canonical SMILES: COCCN(C(=O)c1sc(nc1C)C)Cc1ccncc1
• InChI: InChI=1S/C15H19N3O2S/c1-11-14(21-12(2)17-11)15(19)18(8-9-20-3)10-13-4-6-16-7-5-13/h4-7H,8-10H2,1-3H3
• InChIKey: BORHWJFCWVNVKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-(2-methoxyethyl)-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.66704184
• LogD (pH = 7.4): 0.7751099
• Log P: 0.77673054
• Molar Refractivity: 82.4537 cm^3
• Polarizability: 31.256687 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.09
• LOG S: -1.51
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6