1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea (CAS 922698-92-8) is a chemical compound with molecular formula C17H23N5O2S2 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: F2680-1318, 1-(3,4-dimethylphenyl)-3-(5-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, 1-(3,4-dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea, 1-(3,4-dimethylphenyl)-3-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C17H23N5O2S2 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.22324 |
| Topological Polar Surface Area | 79.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1293 |
| Heavy Atoms | 26 |
| Complexity | 746.5045 |
Chemical Identifiers
| CAS Number | 922698-92-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCCN3CCOCC3)C |
Product Overview
1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea (CAS 922698-92-8), with molecular formula C17H23N5O2S2 and molecular weight 393.13 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 3.22324 indicates that 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)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
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea is 922698-92-8.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea is C17H23N5O2S2.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea is 393.13 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-3-(5-((2-morpholinoethyl)thio)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.