N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 580586
• Molecular Formular: C15H16N4OS2
• Molecular Mass: 332.44374
• Monoisotopic Mass: 332.07655315
• SMILES: c1(nc(sc1)CCC)C(=O)N(Cc1cc2c(nsn2)cc1)C
• Canonical SMILES: CCCc1scc(n1)C(=O)N(Cc1ccc2c(c1)nsn2)C
• InChI: InChI=1S/C15H16N4OS2/c1-3-4-14-16-13(9-21-14)15(20)19(2)8-10-5-6-11-12(7-10)18-22-17-11/h5-7,9H,3-4,8H2,1-2H3
• InChIKey: ALIJDIXNYFFOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
• Synonyms: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4521503
• LogD (pH = 7.4): 3.4521527
• Log P: 3.4521527
• Molar Refractivity: 88.5298 cm^3
• Polarizability: 34.149586 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.92
• LOG S: -3.26
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 5