N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

• ChemBase ID: 314127
• Molecular Formular: C14H19N5O2S
• Molecular Mass: 321.39796
• Monoisotopic Mass: 321.12594587
• SMILES: c1(nc(sc1)NC)C(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: CNc1scc(n1)C(=O)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C14H19N5O2S/c1-15-14-17-10(8-22-14)12(20)16-7-6-11-18-13(21-19-11)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,17)(H,16,20)
• InChIKey: DNSOGUMGCUPVKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.687983
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.17329
• LogD (pH = 7.4): 2.1732981
• Log P: 2.1732981
• Molar Refractivity: 85.0173 cm^3
• Polarizability: 30.843512 Å^3
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.57
• LOG S: -2.03
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 6