1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea
TL;DR: 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea (CAS 428479-82-7) is a chemical compound with molecular formula C15H13N5OS and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(2-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea, 1-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea, N-(2-methylphenyl)-N'-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C15H13N5OS |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.55252 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.08408 |
| Heavy Atoms | 22 |
| Complexity | 787.3916 |
Chemical Identifiers
| CAS Number | 428479-82-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3 |
Product Overview
1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea (CAS 428479-82-7), with molecular formula C15H13N5OS and molecular weight 311.08 g/mol. IUPAC: 1-(2-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea
Property Insights of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea
The XLogP value of 3.55252 indicates that 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)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-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea. Following Lipinski's Rule of Five, 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea 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 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea?
The CAS number of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea is 428479-82-7.
What is the molecular formula of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea?
The molecular formula of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea is C15H13N5OS.
What is the molecular weight of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea?
The molecular weight of 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea is 311.08 g/mol.
Where can I buy 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea?
You can request a quote for 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)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-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-3-(o-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.