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

• ChemBase ID: 685391
• Molecular Formular: C16H19N5O2S
• Molecular Mass: 345.41936
• Monoisotopic Mass: 345.12594587
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CCC(c2nc(no2)C(C)C)CC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCC(CC1)c1onc(n1)C(C)C
• InChI: InChI=1S/C16H19N5O2S/c1-10(2)13-18-14(23-19-13)11-3-5-20(6-4-11)15(22)12-9-21-7-8-24-16(21)17-12/h7-11H,3-6H2,1-2H3
• InChIKey: OHXMEIQLMHPDOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4605358
• LogD (pH = 7.4): 2.4605665
• Log P: 2.460567
• Molar Refractivity: 102.691 cm^3
• Polarizability: 33.55088 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.83
• LOG S: -3.28
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3