N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 557002
• Molecular Formular: C11H15N5OS2
• Molecular Mass: 297.3997
• Monoisotopic Mass: 297.07180213
• SMILES: s1c(nnc1CCCNC(=O)Cc1nc(sc1)C)N
• Canonical SMILES: O=C(Cc1csc(n1)C)NCCCc1nnc(s1)N
• InChI: InChI=1S/C11H15N5OS2/c1-7-14-8(6-18-7)5-9(17)13-4-2-3-10-15-16-11(12)19-10/h6H,2-5H2,1H3,(H2,12,16)(H,13,17)
• InChIKey: QDAUHXLYNYVOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.024664
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.14775722
• LogD (pH = 7.4): 0.14910176
• Log P: 0.14911903
• Molar Refractivity: 76.2605 cm^3
• Polarizability: 28.056631 Å^3
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.43
• LOG S: -2.31
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 6