(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577962-53-9) is a chemical compound with molecular formula C19H21N9O2S2 and molecular weight 471.13 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)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-furazan-3-yl)-5-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-1H-[1,2,3]triazole-4-carboxylic acid [1-(4-isopropyl-phenyl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C19H21N9O2S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 2.4558 |
| Topological Polar Surface Area | 149.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12598 |
| Heavy Atoms | 32 |
| Complexity | 1152.0173 |
Chemical Identifiers
| CAS Number | 577962-53-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577962-53-9), with molecular formula C19H21N9O2S2 and molecular weight 471.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.4558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-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)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-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)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-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)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 577962-53-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C19H21N9O2S2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 471.13 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-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)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-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)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.