N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
TL;DR: N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide (CAS 104151-97-5) is a chemical compound with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Also Known As: N1-(5-butyl-1,3,4-thiadiazol-2-yl)fumaramide
| Molecular Formula | C10H14N4O2S |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.08374 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 104151-97-5 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)C=CC(=O)N |
| InChIKey | HECVEDZOZQJAPQ-UHFFFAOYSA-N |
Product Overview
N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide (CAS 104151-97-5), with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol. IUPAC: N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide.
Chemical Property Profile of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Property Insights of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide. Following Lipinski's Rule of Five, N'-(5-butyl-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'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide?
The CAS number of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide is 104151-97-5.
What is the molecular formula of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide?
The molecular formula of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide is C10H14N4O2S.
What is the molecular weight of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide?
The molecular weight of N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide is 254.08 g/mol.
Where can I buy N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide?
You can request a quote for N'-(5-butyl-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'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide?
Yes, KEHONG BIO provides custom synthesis services for N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.