TL;DR: 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine (CAS 111461-32-6) is a chemical compound with molecular formula C7H14N4S2 and molecular weight 218.066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine, 5-(3-Dimethylamino-propylsulfanyl)-[1, 8798AC, ASN 01127461, 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
| Molecular Formula | C7H14N4S2 |
| Molecular Weight | 218.066 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.066 Da |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| SMILES | CN(C)CCCSC1=NN=C(S1)N |
| InChIKey | RROQWVYFDYMUJL-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine. Following Lipinski's Rule of Five, 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine is 111461-32-6.
The molecular formula of 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine is C7H14N4S2.
The molecular weight of 5-(3-Dimethylamino-propylsulfanyl)-[1,3,4]thiadiazol-2-ylamine is 218.066 g/mol.
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