N,4-dimethyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 407296
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N2CCC(CC2)CCc2ccccc2)c(nc(s1)NC)C
• Canonical SMILES: CNc1nc(c(s1)C(=O)N1CCC(CC1)CCc1ccccc1)C
• InChI: InChI=1S/C19H25N3OS/c1-14-17(24-19(20-2)21-14)18(23)22-12-10-16(11-13-22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,20,21)
• InChIKey: VEOLBLSIYLVXJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: N,4-dimethyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]-1,3-thiazol-2-amine
• Synonyms: N,4-dimethyl-5-{[4-(2-phenylethyl)-1-piperidinyl]carbonyl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.841748
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5110056
• LogD (pH = 7.4): 3.5111928
• Log P: 3.5111952
• Molar Refractivity: 100.1685 cm^3
• Polarizability: 37.36546 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.67
• LOG S: -3.98
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5