6-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1,3-benzothiazole

• ChemBase ID: 554867
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)c2cc3scnc3cc2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)c1ccc2c(c1)scn2
• InChI: InChI=1S/C19H22N4O2S/c1-25-11-10-22-9-6-20-18(22)14-4-7-23(8-5-14)19(24)15-2-3-16-17(12-15)26-13-21-16/h2-3,6,9,12-14H,4-5,7-8,10-11H2,1H3
• InChIKey: NAMLBBISCBSVCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1,3-benzothiazole
• IUPAC Traditional name: 6-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}-1,3-benzothiazole
• Synonyms: 6-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-1,3-benzothiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1899738
• LogD (pH = 7.4): 1.8329613
• Log P: 1.8624617
• Molar Refractivity: 101.1324 cm^3
• Polarizability: 39.48608 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.38
• LOG S: -2.23
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5