HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006605Generated: November 4, 2026
4-[[2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)propyl]amino]-2-chloro-3-methylbenzonitrile
https://huagongshe.com/en/chemical/67006605
Identifiers & Physical Properties
| Molecular formula | C25H31ClN4OSSi |
|---|
| Average molar mass | 499.1 g/mol |
|---|
| Monoisotopic mass | 498.167637 g/mol |
|---|
| SMILES | Cc1c(NC(c2nnc(-c3ccccc3)s2)C(C)O[Si](C)(C)C(C)(C)C)ccc(C#N)c1Cl |
|---|
| InChIKey | LXDRARAXBLFXGK-UHFFFAOYSA-N |
|---|
| PubChem CID | 67006605 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 99.1 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 8 |
|---|
| Heavy atoms | 33 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 690 |
|---|
![4-[[2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)propyl]amino]-2-chloro-3-methylbenzonitrile molecular structure](/img/chemical/67006605.png)