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

• ChemBase ID: 729885
• Molecular Formular: C15H27N5OS
• Molecular Mass: 325.47278
• Monoisotopic Mass: 325.19363151
• SMILES: c1(sc(nn1)N)C(NC(=O)CC1CCN(CC1)CCC)(C)C
• Canonical SMILES: CCCN1CCC(CC1)CC(=O)NC(c1nnc(s1)N)(C)C
• InChI: InChI=1S/C15H27N5OS/c1-4-7-20-8-5-11(6-9-20)10-12(21)17-15(2,3)13-18-19-14(16)22-13/h11H,4-10H2,1-3H3,(H2,16,19)(H,17,21)
• InChIKey: LHXOHDKSUPGERH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.763568
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.163042
• LogD (pH = 7.4): -0.7649411
• Log P: 1.1774852
• Molar Refractivity: 91.5883 cm^3
• Polarizability: 34.346653 Å^3
• Polar Surface Area: 84.14 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: 1.34
• LOG S: -2.72
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 6