1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea (CAS 1003806-20-9) is a chemical compound with molecular formula C16H21N5O2S2 and molecular weight 379.11368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea, F2680-0390, 1-(4-methoxyphenyl)-3-(5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, 1-(4-methoxyphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, 3-(4-methoxyphenyl)-1-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
Technical Specifications
| Molecular Formula | C16H21N5O2S2 |
| Molecular Weight | 379.11368 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.11368 Da |
| Heavy Atoms | 25 |
| Complexity | 417.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCCN3CCCC3 |
| InChIKey | HTOZYRJTZJWVIC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea 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
What is the CAS number of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea is 1003806-20-9.
What is the molecular formula of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea is C16H21N5O2S2.
What is the molecular weight of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea is 379.11368 g/mol.
Where can I buy 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(4-methoxyphenyl)-3-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.