N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 475467
• Molecular Formular: C15H19N5OS2
• Molecular Mass: 349.47426
• Monoisotopic Mass: 349.10310225
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)Nc1sc(nn1)C1CCC1
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)Nc1nnc(s1)C1CCC1
• InChI: InChI=1S/C15H19N5OS2/c21-15(17-14-19-18-12(23-14)10-4-3-5-10)20-8-2-1-6-11(20)13-16-7-9-22-13/h7,9-11H,1-6,8H2,(H,17,19,21)
• InChIKey: HKDDZFAPTHGCQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.27348
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.650071
• LogD (pH = 7.4): 2.6496894
• Log P: 2.6502433
• Molar Refractivity: 91.6718 cm^3
• Polarizability: 33.944202 Å^3
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.84
• LOG S: -3.32
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 3