TL;DR: (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide (CAS 489423-39-4) is a chemical compound with molecular formula C22H19N5OS3 and molecular weight 465.07516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
Also Known As: (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide, 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
| Molecular Formula | C22H19N5OS3 |
| Molecular Weight | 465.07516 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.07516 Da |
| Heavy Atoms | 31 |
| Complexity | 622.0 |
| SMILES | C/C(=N/NC(=O)CSC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32)/C4=CN=CC=C4 |
| InChIKey | SRDDNKOEPIOMMV-IWIPYMOSSA-N |
The XLogP value of 4.9 indicates that (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide is 489423-39-4.
The molecular formula of (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide is C22H19N5OS3.
The molecular weight of (Z)-2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N'-(1-(pyridin-3-yl)ethylidene)acetohydrazide is 465.07516 g/mol.
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