N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
TL;DR: N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide (CAS 868976-45-8) is a chemical compound with molecular formula C13H14N4O4S2 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
Also Known As: F1838-3172, N-{5-[(carbamoylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3,5-dimethoxybenzamide, N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide, N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
| Molecular Formula | C13H14N4O4S2 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 1.385 |
| Topological Polar Surface Area | 116.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.04565 |
| Heavy Atoms | 23 |
| Complexity | 697.5001 |
Chemical Identifiers
| CAS Number | 868976-45-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)N)OC |
Product Overview
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide (CAS 868976-45-8), with molecular formula C13H14N4O4S2 and molecular weight 354.05 g/mol. IUPAC: N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide.
Chemical Property Profile of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
Property Insights of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
The XLogP value of 1.385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide. The TPSA of 116.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide has 2 hydrogen bond donor(s) and 8 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-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The CAS number of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide is 868976-45-8.
What is the molecular formula of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The molecular formula of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide is C13H14N4O4S2.
What is the molecular weight of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
The molecular weight of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide is 354.05 g/mol.
Where can I buy N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
You can request a quote for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.