![2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide structure](/static/products/872/872590-25-5.png)
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 872590-25-5) is a chemical compound with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, F1872-0905, 2-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C17H17N5O3S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.8048 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07727 |
| Heavy Atoms | 27 |
| Complexity | 955.7044 |
Chemical Identifiers
| CAS Number | 872590-25-5 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4 |
Product Overview
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 872590-25-5), with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 2.8048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide 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 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is 872590-25-5.
What is the molecular formula of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is C17H17N5O3S2.
What is the molecular weight of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is 403.08 g/mol.
Where can I buy 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.