HCID5486884

Orf 17583

3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine

C13H21N5O2S2343.5 g/molCAS 78441-46-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CNC1=NS(=O)N=C1NCCSCc1ccc(CN(C)C)o1
InChIKey: MLEQRRUOXXDANO-UHFFFAOYSA-N
分子式: C13H21N5O2S2
平均分子量: 343.5 g/mol
单同位素质量: 343.11366728

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 127 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 9
重原子: 22
形式电荷: 0
复杂度: 456

ALIASES

名称与别名

共 16 条

Orf 1758378441-46-0Orf-17583BL-6217RefChem:928256BL 62171,2,5-Thiadiazole-3,4-diamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-, 1-oxide3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamineorb1740776DTXSID50874495MLEQRRUOXXDANO-UHFFFAOYSA-NN-(4-(Methylamino)-1-oxo-1,2,5-thiadiazol-3-yl)-2-((5-(dimethylaminomethyl)-2-furyl)methylthio)ethylamineT687043-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-4-(methylamino)-1H-1lambda~4~,2,5-thiadiazol-1-one3-{2-[(5-Dimethylaminomethyl-2-furyl)methylthio]ethylamino}-4-methylamino-1,2,5 -thiadiazole 1-oxide3-{2-[(5-Dimethylaminomethyl-2-furyl)methylthio]ethylamino}-4-methylamino-1,2,5-thiadiazole 1-oxide

REACTIONS