2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
TL;DR: 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole (CAS 66046-31-9) is a chemical compound with molecular formula C12H13FN4OS2 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea
Also Known As: 2-(1,3-dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole, N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea, 1-(5-((3-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea, 1-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea, 1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-urea
| Molecular Formula | C12H13FN4OS2 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 2.7451 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05148 |
| Heavy Atoms | 20 |
| Complexity | 604.6482 |
Chemical Identifiers
| CAS Number | 66046-31-9 |
|---|---|
| SMILES | CNC(=O)N(C)C1=NN=C(S1)SCC2=CC(=CC=C2)F |
Product Overview
2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole (CAS 66046-31-9), with molecular formula C12H13FN4OS2 and molecular weight 312.05 g/mol. IUPAC: 1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea.
Chemical Property Profile of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
Property Insights of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
The XLogP value of 2.7451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole. With a topological polar surface area (TPSA) of 58.12 Ų, 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole has 1 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 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole?
The CAS number of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole is 66046-31-9.
What is the molecular formula of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole?
The molecular formula of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole is C12H13FN4OS2.
What is the molecular weight of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole?
The molecular weight of 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole is 312.05 g/mol.
Where can I buy 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole?
You can request a quote for 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.