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

• ChemBase ID: 381248
• Molecular Formular: C18H25N5OS
• Molecular Mass: 359.489
• Monoisotopic Mass: 359.17798145
• SMILES: s1c(nnc1CCCNC(=O)CN1CC(c2ccccc2)CCC1)N
• Canonical SMILES: O=C(CN1CCCC(C1)c1ccccc1)NCCCc1nnc(s1)N
• InChI: InChI=1S/C18H25N5OS/c19-18-22-21-17(25-18)9-4-10-20-16(24)13-23-11-5-8-15(12-23)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,19,22)(H,20,24)
• InChIKey: GLTOULRVTDEDMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.138581
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.9044045
• LogD (pH = 7.4): 0.8298853
• Log P: 1.3877128
• Molar Refractivity: 102.3991 cm^3
• Polarizability: 38.321075 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.39
• LOG S: -3.86
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 7