N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
TL;DR: N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide (CAS 892620-08-5) is a chemical compound with molecular formula C14H11N5O2S2 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
Also Known As: N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide, N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide, N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-1-phenylpyridazine-3-carboxamide, N-(5-methylthio(1,3,4-thiadiazol-2-yl))(4-oxo-1-phenylhydropyridazin-3-yl)carb oxamide, N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
| Molecular Formula | C14H11N5O2S2 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 2.0582 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.03543 |
| Heavy Atoms | 23 |
| Complexity | 891.43823 |
Chemical Identifiers
| CAS Number | 892620-08-5 |
|---|---|
| SMILES | CSC1=NN=C(S1)NC(=O)C2=NN(C=CC2=O)C3=CC=CC=C3 |
Product Overview
N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide (CAS 892620-08-5), with molecular formula C14H11N5O2S2 and molecular weight 345.04 g/mol. IUPAC: N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-1-phenylpyridazine-3-carboxamide.
Chemical Property Profile of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
Property Insights of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
The XLogP value of 2.0582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide. Following Lipinski's Rule of Five, N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide?
The CAS number of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide is 892620-08-5.
What is the molecular formula of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide?
The molecular formula of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide is C14H11N5O2S2.
What is the molecular weight of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide?
The molecular weight of N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide is 345.04 g/mol.
Where can I buy N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide?
You can request a quote for N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.