2-benzyl-N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 357349
• Molecular Formular: C21H26N2O2S
• Molecular Mass: 370.50834
• Monoisotopic Mass: 370.17149908
• SMILES: c1(nc(sc1)Cc1ccccc1)C(=O)N(CC1OCCC1)CC1CCC1
• Canonical SMILES: O=C(c1csc(n1)Cc1ccccc1)N(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C21H26N2O2S/c24-21(19-15-26-20(22-19)12-16-6-2-1-3-7-16)23(13-17-8-4-9-17)14-18-10-5-11-25-18/h1-3,6-7,15,17-18H,4-5,8-14H2
• InChIKey: GOOULWBZWUPUFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-benzyl-N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• Synonyms: 2-benzyl-N-(cyclobutylmethyl)-N-(tetrahydro-2-furanylmethyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9170196
• LogD (pH = 7.4): 3.9170208
• Log P: 3.9170208
• Molar Refractivity: 103.7265 cm^3
• Polarizability: 39.9564 Å^3
• Polar Surface Area: 42.43 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 2.5
• LOG S: -4.04
• Polar Surface Area: 42.43 Å^2