1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
TL;DR: 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1001829-94-2) is a chemical compound with molecular formula C13H11N5OS3 and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea
Also Known As: 1-(5-((pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea, F2680-0865, 3-(5-{[(pyridin-3-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-(thiophen-2-yl)urea, 1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea
| Molecular Formula | C13H11N5OS3 |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 3.9309 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.01257 |
| Heavy Atoms | 22 |
| Complexity | 729.2406 |
Chemical Identifiers
| CAS Number | 1001829-94-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CS3 |
Product Overview
1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1001829-94-2), with molecular formula C13H11N5OS3 and molecular weight 349.01 g/mol. IUPAC: 1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea.
Chemical Property Profile of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
Property Insights of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
The XLogP value of 3.9309 indicates that 1-(5-((Pyridin-3-ylmethyl)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 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea. Following Lipinski's Rule of Five, 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-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-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The CAS number of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 1001829-94-2.
What is the molecular formula of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular formula of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is C13H11N5OS3.
What is the molecular weight of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular weight of 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 349.01 g/mol.
Where can I buy 1-(5-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
You can request a quote for 1-(5-((Pyridin-3-ylmethyl)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-((Pyridin-3-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((Pyridin-3-ylmethyl)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.