HCID22101848

1-(3-Dimethylaminophenyl)-1-(4-methyl-5-thiazolyl)methanol

[3-(dimethylamino)phenyl]-(4-methyl-1,3-thiazol-5-yl)methanol

C13H16N2OS248.35 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ncsc1C(O)c1cccc(N(C)C)c1
InChIKey: VVKJCCABXLQCKH-UHFFFAOYSA-N
分子式: C13H16N2OS
平均分子量: 248.35 g/mol
单同位素质量: 248.09833431

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 64.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 250

ALIASES

名称与别名

共 4 条

SCHEMBL8631320VVKJCCABXLQCKH-UHFFFAOYSA-N1-(3-Dimethylaminophenyl)-1-(4-methyl-5-thiazolyl)-methanol1-(3-Dimethylaminophenyl)-1-(4-methyl-5-thiazolyl)methanol

REACTIONS

相关反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05712299

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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05849921

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