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

• ChemBase ID: 850621
• Molecular Formular: C16H27N5OS
• Molecular Mass: 337.48348
• Monoisotopic Mass: 337.19363151
• SMILES: c1(sc(nn1)N)C(NC(=O)C1CCN(CC1)C1CCCC1)(C)C
• Canonical SMILES: O=C(C1CCN(CC1)C1CCCC1)NC(c1nnc(s1)N)(C)C
• InChI: InChI=1S/C16H27N5OS/c1-16(2,14-19-20-15(17)23-14)18-13(22)11-7-9-21(10-8-11)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H2,17,20)(H,18,22)
• InChIKey: JMHNMDHFHUQYMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-4-carboxamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-1-methylethyl]-1-cyclopentylpiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.66746
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9863127
• LogD (pH = 7.4): -1.0024297
• Log P: 1.4642552
• Molar Refractivity: 94.1538 cm^3
• Polarizability: 35.462315 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.5
• LOG S: -2.94
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 4