1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
TL;DR: 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1002041-65-7) is a chemical compound with molecular formula C16H16N4O3S3 and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea
Also Known As: F2680-0896, 1-(5-((3,5-dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea, 1-[5-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea, N-[5-[[(3,5-Dimethoxyphenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-N'-2-thienylurea, 3-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-(thiophen-2-yl)urea
| Molecular Formula | C16H16N4O3S3 |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 4.5531 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03845 |
| Heavy Atoms | 26 |
| Complexity | 845.26447 |
Chemical Identifiers
| CAS Number | 1002041-65-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CS3)OC |
Product Overview
1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1002041-65-7), with molecular formula C16H16N4O3S3 and molecular weight 408.04 g/mol. IUPAC: 1-[5-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea.
Chemical Property Profile of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
Property Insights of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
The XLogP value of 4.5531 indicates that 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea. Following Lipinski's Rule of Five, 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea has 2 hydrogen bond donor(s) and 8 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-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The CAS number of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 1002041-65-7.
What is the molecular formula of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular formula of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is C16H16N4O3S3.
What is the molecular weight of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular weight of 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 408.04 g/mol.
Where can I buy 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
You can request a quote for 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-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-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((3,5-Dimethoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.