N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide

• ChemBase ID: 588735
• Molecular Formular: C17H20N6OS
• Molecular Mass: 356.4453
• Monoisotopic Mass: 356.14193029
• SMILES: c1(nc(sc1C)C)C(N(C(=O)c1ccc(c2nn(nn2)C)cc1)C)C
• Canonical SMILES: Cn1nnc(n1)c1ccc(cc1)C(=O)N(C(c1nc(sc1C)C)C)C
• InChI: InChI=1S/C17H20N6OS/c1-10(15-11(2)25-12(3)18-15)22(4)17(24)14-8-6-13(7-9-14)16-19-21-23(5)20-16/h6-10H,1-5H3
• InChIKey: KTXPHJCFHCOJGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(2-methyl-2H-tetrazol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3087668
• LogD (pH = 7.4): 3.3120372
• Log P: 3.312079
• Molar Refractivity: 120.7977 cm^3
• Polarizability: 36.692696 Å^3
• Polar Surface Area: 76.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -3.09
• Polar Surface Area: 76.8 Å^2
• Rotatable Bonds: 4