N,N-dimethyl-5-(3-methyl-3-phenylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

• ChemBase ID: 865251
• Molecular Formular: C16H22N4S
• Molecular Mass: 302.43768
• Monoisotopic Mass: 302.15651772
• SMILES: n1c(N2CC(c3ccccc3)(CCC2)C)snc1N(C)C
• Canonical SMILES: CN(c1nsc(n1)N1CCCC(C1)(C)c1ccccc1)C
• InChI: InChI=1S/C16H22N4S/c1-16(13-8-5-4-6-9-13)10-7-11-20(12-16)15-17-14(18-21-15)19(2)3/h4-6,8-9H,7,10-12H2,1-3H3
• InChIKey: KIWAWAKSBOPVKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-(3-methyl-3-phenylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
• IUPAC Traditional name: N,N-dimethyl-5-(3-methyl-3-phenylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
• Synonyms: N,N-dimethyl-5-(3-methyl-3-phenylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.637819
• LogD (pH = 7.4): 4.639293
• Log P: 4.6393123
• Molar Refractivity: 90.4629 cm^3
• Polarizability: 33.0083 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.79
• LOG S: -6.9
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3