N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide

• ChemBase ID: 584680
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: c1(nc(cs1)C(C)(C)C)NC(=O)CNCc1ccncc1
• Canonical SMILES: O=C(Nc1scc(n1)C(C)(C)C)CNCc1ccncc1
• InChI: InChI=1S/C15H20N4OS/c1-15(2,3)12-10-21-14(18-12)19-13(20)9-17-8-11-4-6-16-7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,18,19,20)
• InChIKey: AMPRHQGOPJENJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide
• Synonyms: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(pyridin-4-ylmethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.616174
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3084328
• LogD (pH = 7.4): 2.004374
• Log P: 2.5001569
• Molar Refractivity: 84.4866 cm^3
• Polarizability: 32.342846 Å^3
• Polar Surface Area: 66.91 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: 2.04
• LOG S: -1.86
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 6