N-ethyl-4-methyl-5-{2-[2-(thiophen-2-yl)ethyl]piperidine-1-carbonyl}-1,3-thiazol-2-amine

• ChemBase ID: 577949
• Molecular Formular: C18H25N3OS2
• Molecular Mass: 363.5406
• Monoisotopic Mass: 363.14390444
• SMILES: c1(C(=O)N2C(CCc3sccc3)CCCC2)c(nc(s1)NCC)C
• Canonical SMILES: CCNc1nc(c(s1)C(=O)N1CCCCC1CCc1cccs1)C
• InChI: InChI=1S/C18H25N3OS2/c1-3-19-18-20-13(2)16(24-18)17(22)21-11-5-4-7-14(21)9-10-15-8-6-12-23-15/h6,8,12,14H,3-5,7,9-11H2,1-2H3,(H,19,20)
• InChIKey: FNWWKTHDUQKIRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.339534
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.988213
• LogD (pH = 7.4): 3.9883919
• Log P: 3.9883943
• Molar Refractivity: 101.7542 cm^3
• Polarizability: 37.958504 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.98
• LOG S: -4.39
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6