2-(dimethyl-1,3-thiazol-5-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 565967
• Molecular Formular: C18H24N2OS
• Molecular Mass: 316.46096
• Monoisotopic Mass: 316.1609344
• SMILES: C(=O)(c1c(c2c(nc(s2)C)C)cccc1)N(C(C)C)C(C)C
• Canonical SMILES: Cc1nc(c(s1)c1ccccc1C(=O)N(C(C)C)C(C)C)C
• InChI: InChI=1S/C18H24N2OS/c1-11(2)20(12(3)4)18(21)16-10-8-7-9-15(16)17-13(5)19-14(6)22-17/h7-12H,1-6H3
• InChIKey: NJTRCIOVJWDKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N,N-diisopropylbenzamide
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-diisopropylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3734746
• LogD (pH = 7.4): 3.375142
• Log P: 3.3751633
• Molar Refractivity: 92.4255 cm^3
• Polarizability: 36.465767 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.99
• LOG S: -4.06
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4