1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 726611
• Molecular Formular: C16H19N5O3S
• Molecular Mass: 361.41876
• Monoisotopic Mass: 361.12086049
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1C(c2nc(no2)CCOC)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1C(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C16H19N5O3S/c1-23-8-5-13-18-14(24-19-13)12-4-2-3-6-21(12)15(22)11-10-20-7-9-25-16(20)17-11/h7,9-10,12H,2-6,8H2,1H3
• InChIKey: NHVOVRSLTKFDKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 6-({2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}carbonyl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6723174
• LogD (pH = 7.4): 1.6723481
• Log P: 1.6723486
• Molar Refractivity: 104.2324 cm^3
• Polarizability: 34.294376 Å^3
• Polar Surface Area: 85.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.05
• LOG S: -2.73
• Polar Surface Area: 85.76 Å^2
• Rotatable Bonds: 5