![2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide structure](/static/products/590/590380-35-1.png)
2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
TL;DR: 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide (CAS 590380-35-1) is a chemical compound with molecular formula C21H24N2O2S3 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
Also Known As: 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide, 3-Thiazolidinecarbothioamide, 2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]-N-(4-methoxyphenyl)- (9CI), 3-thiazolidinecarbothioamide,2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thienyl]-N-(4-methoxyphenyl)-
| Molecular Formula | C21H24N2O2S3 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 4.5711 |
| Topological Polar Surface Area | 44.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.1 |
| Heavy Atoms | 28 |
| Complexity | 881.0459 |
Chemical Identifiers
| CAS Number | 590380-35-1 |
|---|---|
| SMILES | CC(C)(CO)C#CC1=CC=C(S1)C2N(CCS2)C(=S)NC3=CC=C(C=C3)OC |
Product Overview
2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide (CAS 590380-35-1), with molecular formula C21H24N2O2S3 and molecular weight 432.10 g/mol. IUPAC: 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide.
Chemical Property Profile of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
Property Insights of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
The XLogP value of 4.5711 indicates that 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.73 Ų, 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide has 2 hydrogen bond donor(s) and 5 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-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The CAS number of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide is 590380-35-1.
What is the molecular formula of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The molecular formula of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide is C21H24N2O2S3.
What is the molecular weight of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
The molecular weight of 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide is 432.10 g/mol.
Where can I buy 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
You can request a quote for 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.