N,4-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3-thiazol-2-amine

• ChemBase ID: 403988
• Molecular Formular: C15H15N3OS
• Molecular Mass: 285.3641
• Monoisotopic Mass: 285.09358312
• SMILES: c1(nc(cs1)C)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: Cc1csc(n1)N(Cc1onc(c1)c1ccccc1)C
• InChI: InChI=1S/C15H15N3OS/c1-11-10-20-15(16-11)18(2)9-13-8-14(17-19-13)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
• InChIKey: SVLHYYNCHDTPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: N,4-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3-thiazol-2-amine
• Synonyms: N,4-dimethyl-N-[(3-phenylisoxazol-5-yl)methyl]-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5964334
• LogD (pH = 7.4): 3.5977807
• Log P: 3.5977979
• Molar Refractivity: 80.4561 cm^3
• Polarizability: 31.195995 Å^3
• Polar Surface Area: 42.16 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: 2.24
• LOG S: -4.58
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4