N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 506736
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N(Cc2ncccc2)C2CCCCC2)nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)N(C1CCCCC1)Cc1ccccn1
• InChI: InChI=1S/C19H25N3OS/c1-2-8-18-21-17(14-24-18)19(23)22(16-10-4-3-5-11-16)13-15-9-6-7-12-20-15/h6-7,9,12,14,16H,2-5,8,10-11,13H2,1H3
• InChIKey: JDJBJPCGZGGGHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• Synonyms: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9539313
• LogD (pH = 7.4): 3.9713664
• Log P: 3.9715936
• Molar Refractivity: 96.3825 cm^3
• Polarizability: 37.24894 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.72
• LOG S: -2.73
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 6