2-(propan-2-yl)-6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine

• ChemBase ID: 550051
• Molecular Formular: C20H25N5S
• Molecular Mass: 367.511
• Monoisotopic Mass: 367.18306683
• SMILES: n1(c(ncc1)C1CCN(c2nc(C(C)C)ccc2)CC1)Cc1ncsc1
• Canonical SMILES: CC(c1cccc(n1)N1CCC(CC1)c1nccn1Cc1cscn1)C
• InChI: InChI=1S/C20H25N5S/c1-15(2)18-4-3-5-19(23-18)24-9-6-16(7-10-24)20-21-8-11-25(20)12-17-13-26-14-22-17/h3-5,8,11,13-16H,6-7,9-10,12H2,1-2H3
• InChIKey: UCONNKUSRIIQHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine
• IUPAC Traditional name: 2-isopropyl-6-{4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyridine
• Synonyms: 2-isopropyl-6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5690895
• LogD (pH = 7.4): 3.560942
• Log P: 3.795678
• Molar Refractivity: 105.8233 cm^3
• Polarizability: 39.948868 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.32
• LOG S: -3.86
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5