HCID21392728

1,2-Epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazol-2-yloxy]propane

N-hex-5-enyl-2-(oxiran-2-ylmethoxy)-1,3-thiazole-5-carboxamide

C13H18N2O3S282.36 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCCCCNC(=O)c1cnc(OCC2CO2)s1
InChIKey: VFXIQLPSUDXUPJ-UHFFFAOYSA-N
分子式: C13H18N2O3S
平均分子量: 282.36 g/mol
单同位素质量: 282.10381361

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 92 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 9
重原子: 19
形式电荷: 0
复杂度: 314

ALIASES

名称与别名

共 4 条

SCHEMBL11736911VFXIQLPSUDXUPJ-UHFFFAOYSA-N1,2-epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazol-2-yloxy]propane1,2-epoxy-3-[5-(hex-5-enylaminocarbonyl)thiazole-2-yloxy]propane

REACTIONS

参与反应

5 条

uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04064259

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uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04064259

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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