N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
TL;DR: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CAS 774546-06-4) is a chemical compound with molecular formula C17H17N5OS3 and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Also Known As: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C17H17N5OS3 |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 3.96804 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0595 |
| Heavy Atoms | 26 |
| Complexity | 864.8647 |
Chemical Identifiers
| CAS Number | 774546-06-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C |
Product Overview
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CAS 774546-06-4), with molecular formula C17H17N5OS3 and molecular weight 403.06 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Property Insights of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
The XLogP value of 3.96804 indicates that N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has 1 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-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The CAS number of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is 774546-06-4.
What is the molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The molecular formula of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is C17H17N5OS3.
What is the molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The molecular weight of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is 403.06 g/mol.
Where can I buy N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
You can request a quote for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.