ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CAS 890946-65-3) is a chemical compound with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate, F2020-0226, ethyl 2-((5,6-dimethoxybenzo[d]thiazol-2-yl)amino)-4-methylthiazole-5-carboxylate, ethyl 2-(5,6-dimethoxy-1,3-benzothiazol-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C16H17N3O4S2 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 3.99872 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.06604 |
| Heavy Atoms | 25 |
| Complexity | 878.6308 |
Chemical Identifiers
| CAS Number | 890946-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC2=NC3=CC(=C(C=C3S2)OC)OC)C |
Product Overview
ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CAS 890946-65-3), with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol. IUPAC: ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 3.99872 indicates that ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 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-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is 890946-65-3.
What is the molecular formula of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is C16H17N3O4S2.
What is the molecular weight of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is 379.07 g/mol.
Where can I buy ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-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-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.