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

• ChemBase ID: 647861
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N2C(CCc3ccccc3)CCCC2)c(nc(s1)N)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N1CCCCC1CCc1ccccc1)N
• InChI: InChI=1S/C19H25N3OS/c1-2-16-17(24-19(20)21-16)18(23)22-13-7-6-10-15(22)12-11-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H2,20,21)
• InChIKey: AYCJVISTLXYCPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.807144
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1155367
• LogD (pH = 7.4): 4.1175113
• Log P: 4.1175365
• Molar Refractivity: 99.0952 cm^3
• Polarizability: 37.440384 Å^3
• Polar Surface Area: 59.22 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: 3.1
• LOG S: -4.35
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 5