[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine

• ChemBase ID: 580494
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: n1c(noc1CN(Cc1nc2c(s1)CCCC2)C)C1CC1
• Canonical SMILES: CN(Cc1nc2c(s1)CCCC2)Cc1onc(n1)C1CC1
• InChI: InChI=1S/C15H20N4OS/c1-19(8-13-17-15(18-20-13)10-6-7-10)9-14-16-11-4-2-3-5-12(11)21-14/h10H,2-9H2,1H3
• InChIKey: JLSMRAKJZJSEDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
• IUPAC Traditional name: [(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amine
• Synonyms: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8926554
• LogD (pH = 7.4): 3.0657878
• Log P: 3.0685089
• Molar Refractivity: 82.7119 cm^3
• Polarizability: 31.084927 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.96
• LOG S: -2.57
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5