N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 674298
• Molecular Formular: C15H22N4OS
• Molecular Mass: 306.42638
• Monoisotopic Mass: 306.15143234
• SMILES: c1(nc(sc1)CCC)C(=O)N(CCCc1cn(nc1)C)C
• Canonical SMILES: CCCc1scc(n1)C(=O)N(CCCc1cnn(c1)C)C
• InChI: InChI=1S/C15H22N4OS/c1-4-6-14-17-13(11-21-14)15(20)18(2)8-5-7-12-9-16-19(3)10-12/h9-11H,4-8H2,1-3H3
• InChIKey: TYMJQDWFYZEATB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4695075
• LogD (pH = 7.4): 2.4696124
• Log P: 2.4696136
• Molar Refractivity: 96.3068 cm^3
• Polarizability: 31.94617 Å^3
• Polar Surface Area: 51.02 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: 0.95
• LOG S: -2.25
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 7