TL;DR: 5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine (CAS 100988-20-3) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-(2-phenylpropyl)-, BAS 01917208, 5-(2-Phenyl-propyl)-[1,3,4]thiadiazol-2-ylamine, 2-Amino-5-(2-methyl-2-phenethyl)-thiadiazol
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.08302 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | CC(CC1=NN=C(S1)N)C2=CC=CC=C2 |
| InChIKey | TZDRLIUGQBKIFY-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-(2-Phenylpropyl)-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-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine is 100988-20-3.
The molecular formula of 5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine is C11H13N3S.
The molecular weight of 5-(2-Phenylpropyl)-1,3,4-thiadiazol-2-amine is 219.08302 g/mol.
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