N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide
TL;DR: N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide (CAS 90278-96-9) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide
Also Known As: N1-methyl-N4-(1,3,4-thiadiazol-2-yl)fumaramide
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 90278-96-9 |
|---|---|
| SMILES | CNC(=O)C=CC(=O)NC1=NN=CS1 |
| InChIKey | VHWZUVQQMVIOEZ-UHFFFAOYSA-N |
Product Overview
N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide (CAS 90278-96-9), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide.
Chemical Property Profile of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide
Property Insights of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide
The XLogP value of -0.6 indicates that N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide. Following Lipinski's Rule of Five, N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide has 2 hydrogen bond donor(s) and 5 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-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide?
The CAS number of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide is 90278-96-9.
What is the molecular formula of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide?
The molecular formula of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide is C7H8N4O2S.
What is the molecular weight of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide?
The molecular weight of N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide is 212.04 g/mol.
Where can I buy N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide?
You can request a quote for N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.