TL;DR: 5-Nonyl-1,3,4-thiadiazol-2-amine (CAS 113836-51-4) is a chemical compound with molecular formula C11H21N3S and molecular weight 227.14561 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nonyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-nonyl-1,3,4-thiadiazol-2-amine, 5-nonyl-[1,3,4]thiadiazol-2-ylamine, 1,3,4-Thiadiazol-2-amine, 5-nonyl-, 5-Nonyl-1,3,4-thiadiazole-2-amine, J1.405.738B
| Molecular Formula | C11H21N3S |
| Molecular Weight | 227.14561 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.14561 Da |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
| SMILES | CCCCCCCCCC1=NN=C(S1)N |
| InChIKey | UXGCJGDBDKTWID-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 5-Nonyl-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nonyl-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-Nonyl-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Nonyl-1,3,4-thiadiazol-2-amine is 113836-51-4.
The molecular formula of 5-Nonyl-1,3,4-thiadiazol-2-amine is C11H21N3S.
The molecular weight of 5-Nonyl-1,3,4-thiadiazol-2-amine is 227.14561 g/mol.
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