(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-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'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573698-34-7) is a chemical compound with molecular formula C13H17N9O2S2 and molecular weight 395.09 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)-butan-2-ylideneamino]-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'-(butan-2-ylidene)-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'-[(2E)-butan-2-ylidene]-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)-butan-2-ylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide
| Molecular Formula | C13H17N9O2S2 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 1.0842 |
| Topological Polar Surface Area | 149.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.09467 |
| Heavy Atoms | 26 |
| Complexity | 857.67194 |
Chemical Identifiers
| CAS Number | 573698-34-7 |
|---|---|
| SMILES | CC/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NCCS3)/C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573698-34-7), with molecular formula C13H17N9O2S2 and molecular weight 395.09 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-butan-2-ylideneamino]-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.0842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 573698-34-7.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-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'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C13H17N9O2S2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-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'-(butan-2-ylidene)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 395.09 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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'-(butan-2-ylidene)-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.