4-({5-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl}methyl)morpholine

• ChemBase ID: 759968
• Molecular Formular: C14H14N4O2S2
• Molecular Mass: 334.41656
• Monoisotopic Mass: 334.05581771
• SMILES: c1(c2nc(no2)CN2CCOCC2)nc(sc1)c1sccc1
• Canonical SMILES: O1CCN(CC1)Cc1noc(n1)c1csc(n1)c1cccs1
• InChI: InChI=1S/C14H14N4O2S2/c1-2-11(21-7-1)14-15-10(9-22-14)13-16-12(17-20-13)8-18-3-5-19-6-4-18/h1-2,7,9H,3-6,8H2
• InChIKey: BVBXCOAWIWUIRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({5-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl}methyl)morpholine
• IUPAC Traditional name: 4-({5-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl}methyl)morpholine
• Synonyms: 4-({5-[2-(2-thienyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5758348
• LogD (pH = 7.4): 2.61647
• Log P: 2.6170135
• Molar Refractivity: 105.7315 cm^3
• Polarizability: 33.222054 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.51
• LOG S: -2.77
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4