(2R)-2-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide

• ChemBase ID: 388190
• Molecular Formular: C14H17N3OS
• Molecular Mass: 275.36928
• Monoisotopic Mass: 275.10923318
• SMILES: n1c(scc1CC)CNC(=O)[C@@H](c1ccccc1)N
• Canonical SMILES: CCc1csc(n1)CNC(=O)[C@@H](c1ccccc1)N
• InChI: InChI=1S/C14H17N3OS/c1-2-11-9-19-12(17-11)8-16-14(18)13(15)10-6-4-3-5-7-10/h3-7,9,13H,2,8,15H2,1H3,(H,16,18)/t13-/m1/s1
• InChIKey: CWRLNBICHLDOIQ-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: (2R)-2-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
• Synonyms: (2R)-2-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.961272
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6826616
• LogD (pH = 7.4): 0.9922794
• Log P: 1.4940257
• Molar Refractivity: 75.4466 cm^3
• Polarizability: 29.551508 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.39
• LOG S: -3.25
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 5