(4R)-N,3-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

• ChemBase ID: 510248
• Molecular Formular: C16H19N3OS2
• Molecular Mass: 333.47156
• Monoisotopic Mass: 333.09695424
• SMILES: n1c(scc1CN(C(=O)[C@H]1N(CSC1)C)C)c1ccccc1
• Canonical SMILES: CN(C(=O)[C@@H]1CSCN1C)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C16H19N3OS2/c1-18(16(20)14-10-21-11-19(14)2)8-13-9-22-15(17-13)12-6-4-3-5-7-12/h3-7,9,14H,8,10-11H2,1-2H3/t14-/m0/s1
• InChIKey: GFFQJJHVJYQQMB-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-N,3-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
• IUPAC Traditional name: (4R)-N,3-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
• Synonyms: (4R)-N,3-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1715775
• LogD (pH = 7.4): 2.2747407
• Log P: 2.276228
• Molar Refractivity: 102.1348 cm^3
• Polarizability: 36.337883 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -3.67
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4