Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate
TL;DR: Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate (CAS 113378-35-1) is a chemical compound with molecular formula C11H17N3O3S and molecular weight 271.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoate
Also Known As: ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate, ethyl 3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoate, ethyl 3-{[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}-3-oxopropanoate
Technical Specifications
| Molecular Formula | C11H17N3O3S |
| Molecular Weight | 271.09906 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.09906 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | CCOC(=O)CC(=O)NC1=NN=C(S1)CC(C)C |
| InChIKey | YZFZQKMIRABSKZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate
Property Insights of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate?
The CAS number of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate is 113378-35-1.
What is the molecular formula of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate?
The molecular formula of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate is C11H17N3O3S.
What is the molecular weight of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate?
The molecular weight of Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate is 271.09906 g/mol.
Where can I buy Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate?
You can request a quote for Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.