![N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide structure](/static/products/850/850460-77-4.png)
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
TL;DR: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CAS 850460-77-4) is a chemical compound with molecular formula C18H23N5OS2 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide, N-(1-CYANO-1,2-DIMETHYLPROPYL)-2-({5-[(3,4-DIMETHYLPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C18H23N5OS2 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.04512 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1344 |
| Heavy Atoms | 26 |
| Complexity | 827.2292 |
Chemical Identifiers
| CAS Number | 850460-77-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)NC(C)(C#N)C(C)C)C |
Product Overview
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CAS 850460-77-4), with molecular formula C18H23N5OS2 and molecular weight 389.13 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Property Insights of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
The XLogP value of 4.04512 indicates that N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has 2 hydrogen bond donor(s) and 7 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-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The CAS number of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is 850460-77-4.
What is the molecular formula of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The molecular formula of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is C18H23N5OS2.
What is the molecular weight of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The molecular weight of N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is 389.13 g/mol.
Where can I buy N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
You can request a quote for N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.