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

• ChemBase ID: 668253
• Molecular Formular: C18H23N3O2S
• Molecular Mass: 345.45912
• Monoisotopic Mass: 345.15109799
• SMILES: c1(nc(sc1)CCC)C(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C18H23N3O2S/c1-2-6-17-20-16(13-24-17)18(22)21(12-15-8-5-10-23-15)11-14-7-3-4-9-19-14/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3
• InChIKey: VRJOHLADXUOLSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.573239
• LogD (pH = 7.4): 2.590685
• Log P: 2.590912
• Molar Refractivity: 93.623 cm^3
• Polarizability: 36.12019 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.73
• LOG S: -1.04
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7