TL;DR: (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide (CAS 531537-53-8) is a chemical compound with molecular formula C19H22N4O2S2 and molecular weight 402.1184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide, (E)-N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, N-(5-((2-(cyclohexylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
| Molecular Formula | C19H22N4O2S2 |
| Molecular Weight | 402.1184 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.1184 Da |
| Heavy Atoms | 27 |
| Complexity | 520.0 |
| SMILES | C1CCC(CC1)NC(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | UDCSMJZMQBOVML-VAWYXSNFSA-N |
The XLogP value of 4.0 indicates that (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-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 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide has 2 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 (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is 531537-53-8.
The molecular formula of (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is C19H22N4O2S2.
The molecular weight of (2E)-N-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is 402.1184 g/mol.
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