1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 773146
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: c1(C2CN(Cc3nc(sc3)CC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)Cc1csc(n1)CC
• InChI: InChI=1S/C17H26N4OS/c1-3-16-19-15(13-23-16)12-20-7-4-5-14(11-20)17-18-6-8-21(17)9-10-22-2/h6,8,13-14H,3-5,7,9-12H2,1-2H3
• InChIKey: FGCWWBWMJADCAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.29712743
• LogD (pH = 7.4): 1.6341466
• Log P: 2.0854127
• Molar Refractivity: 93.3324 cm^3
• Polarizability: 36.021545 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.42
• LOG S: -1.84
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7