TL;DR: Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine (CAS 15814-15-0) is a chemical compound with molecular formula C10H10N4S and molecular weight 218.06262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-prop-2-enyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
Also Known As: allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine, N-(prop-2-en-1-yl)-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine, N-allyl-5-(4-pyridinyl)-1,3,4-thiadiazol-2-amine, N-allyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine, N-prop-2-enyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C10H10N4S |
| Molecular Weight | 218.06262 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06262 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | C=CCNC1=NN=C(S1)C2=CC=NC=C2 |
| InChIKey | TYVBCLMVEAQMPD-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine. Following Lipinski's Rule of Five, Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine 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 Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine is 15814-15-0.
The molecular formula of Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine is C10H10N4S.
The molecular weight of Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine is 218.06262 g/mol.
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