TL;DR: (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (CAS 128627-66-7) is a chemical compound with molecular formula C17H12ClN3OS and molecular weight 341.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
| Molecular Formula | C17H12ClN3OS |
| Molecular Weight | 341.03897 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.03897 Da |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Cl |
| InChIKey | ZEVRBWVVODZKAK-IZZDOVSWSA-N |
The XLogP value of 4.3 indicates that (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide 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 (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is 128627-66-7.
The molecular formula of (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is C17H12ClN3OS.
The molecular weight of (2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is 341.03897 g/mol.
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