Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate (CAS 64837-53-2) is a chemical compound with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate, 5-Amino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester, ACN-C001111, 1,3,4-Thiadiazole-2-carboxylic acid, 5-amino-, ethyl ester, 1,3,4-Thiadiazole-2-carboxylicacid, 5-amino-, ethyl ester
| Molecular Formula | C5H7N3O2S |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 0.297 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.0259 |
| Heavy Atoms | 11 |
| Complexity | 259.98514 |
Chemical Identifiers
| CAS Number | 64837-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=NN=C(S1)N |
Product Overview
Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate (CAS 64837-53-2), with molecular formula C5H7N3O2S and molecular weight 173.03 g/mol. IUPAC: ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 0.297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate is 64837-53-2.
What is the molecular formula of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate is C5H7N3O2S.
What is the molecular weight of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate is 173.03 g/mol.
Where can I buy Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.