![ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate structure](/static/products/6906/690643-16-4.webp)
ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 690643-16-4) is a chemical compound with molecular formula C18H22N6O3S3 and molecular weight 466.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate, 2-[[2-[[5-[(2-amino-4-thiazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C18H22N6O3S3 |
|---|---|
| Molecular Weight | 466.09 g/mol |
| LogP | 3.03044 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.09155 |
| Heavy Atoms | 30 |
| Complexity | 1071.5972 |
Chemical Identifiers
| CAS Number | 690643-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C)CC3=CSC(=N3)N |
Product Overview
ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 690643-16-4), with molecular formula C18H22N6O3S3 and molecular weight 466.09 g/mol. IUPAC: ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.03044 indicates that ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 10 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 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is 690643-16-4.
What is the molecular formula of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is C18H22N6O3S3.
What is the molecular weight of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is 466.09 g/mol.
Where can I buy ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.