TL;DR: Amitivir (CAS 111393-84-1) is a chemical compound with molecular formula C3H2N4S and molecular weight 126.000015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,4-thiadiazol-2-ylcyanamide
Also Known As: Amitivir, amitivirum, Amitivir [INN], 1,3,4-Thiadiazol-2-ylcyanamide, Amitivir [USAN:INN]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H2N4S |
| Molecular Weight | 126.000015 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.000015 Da |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
| SMILES | C1=NN=C(S1)NC#N |
| InChIKey | YUCHAYRHHXJNQK-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amitivir. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Amitivir. Following Lipinski's Rule of Five, Amitivir has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Amitivir is 111393-84-1.
The molecular formula of Amitivir is C3H2N4S.
The molecular weight of Amitivir is 126.000015 g/mol.
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