4-(5-{[4-(2,6-dimethylpyridin-4-yl)piperazin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 558182
• Molecular Formular: C19H27N5OS
• Molecular Mass: 373.51558
• Monoisotopic Mass: 373.19363151
• SMILES: c1(ncc(s1)CN1CCN(c2cc(nc(c2)C)C)CC1)N1CCOCC1
• Canonical SMILES: Cc1cc(cc(n1)C)N1CCN(CC1)Cc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C19H27N5OS/c1-15-11-17(12-16(2)21-15)23-5-3-22(4-6-23)14-18-13-20-19(26-18)24-7-9-25-10-8-24/h11-13H,3-10,14H2,1-2H3
• InChIKey: HXHZBCSYAOUIGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{[4-(2,6-dimethylpyridin-4-yl)piperazin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(5-{[4-(2,6-dimethylpyridin-4-yl)piperazin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(5-{[4-(2,6-dimethylpyridin-4-yl)piperazin-1-yl]methyl}-1,3-thiazol-2-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.4770561
• LogD (pH = 7.4): 0.26602194
• Log P: 2.062976
• Molar Refractivity: 106.1443 cm^3
• Polarizability: 39.940468 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.78
• LOG S: -1.58
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4