(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577982-48-0) is a chemical compound with molecular formula C16H13Cl2N9O2S2 and molecular weight 497.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide, 1-(4-Amino-furazan-3-yl)-5-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-1H-[1,2,3]triazole-4-carboxylic acid [1-(2,6-dichloro-phenyl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C16H13Cl2N9O2S2 |
|---|---|
| Molecular Weight | 497.00 g/mol |
| LogP | 2.6392 |
| Topological Polar Surface Area | 149.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.00107 |
| Heavy Atoms | 31 |
| Complexity | 1157.5532 |
Chemical Identifiers
| CAS Number | 577982-48-0 |
|---|---|
| SMILES | C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CC=C4Cl)Cl |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577982-48-0), with molecular formula C16H13Cl2N9O2S2 and molecular weight 497.00 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.6392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 149.47 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 577982-48-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C16H13Cl2N9O2S2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 497.00 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,6-dichlorobenzylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.