1-(1,3-benzothiazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine

• ChemBase ID: 744487
• Molecular Formular: C19H24N4OS
• Molecular Mass: 356.48506
• Monoisotopic Mass: 356.16708241
• SMILES: c1(nc2c(s1)cccc2)N1CCC(NCc2onc(c2)CCC)CC1
• Canonical SMILES: CCCc1noc(c1)CNC1CCN(CC1)c1nc2c(s1)cccc2
• InChI: InChI=1S/C19H24N4OS/c1-2-5-15-12-16(24-22-15)13-20-14-8-10-23(11-9-14)19-21-17-6-3-4-7-18(17)25-19/h3-4,6-7,12,14,20H,2,5,8-11,13H2,1H3
• InChIKey: URZAZVXVIDZVRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-benzothiazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-(1,3-benzothiazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
• Synonyms: 1-(1,3-benzothiazol-2-yl)-N-[(3-propylisoxazol-5-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2903292
• LogD (pH = 7.4): 3.0236168
• Log P: 3.8350182
• Molar Refractivity: 100.9385 cm^3
• Polarizability: 39.612713 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.13
• LOG S: -3.46
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6