HCID20557944

N-(2-dimethylaminoethyl)-N'-[2-(3-isothiazolylmethylamino)ethyl]thiourea

1-[2-(dimethylamino)ethyl]-3-[2-(1,2-thiazol-3-ylmethylamino)ethyl]thiourea

C11H21N5S2287.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)CCNC(=S)NCCNCc1ccsn1
InChIKey: DBXHFEAJPCCMKE-UHFFFAOYSA-N
分子式: C11H21N5S2
平均分子量: 287.5 g/mol
单同位素质量: 287.12383804

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 113 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 8
重原子: 18
形式电荷: 0
复杂度: 237

ALIASES

名称与别名

共 4 条

SCHEMBL11312914DBXHFEAJPCCMKE-UHFFFAOYSA-NN-(2-dimethylaminoethyl)-N' -[2-(3-isothiazolylmethylamino)ethyl]thioureaN-(2-dimethylaminoethyl)-N'-[2-(3-isothiazolylmethylamino)ethyl]thiourea

REACTIONS

参与反应

12 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04018931

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uspto-grants-1981_10 · 10.6084/m9.figshare.5104873.v1 · US04293697

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uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04226874

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uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04230865

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1977_10 · 10.6084/m9.figshare.5104873.v1 · US04053473

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