N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CAS 149045-52-3) is a chemical compound with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Also Known As: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide, N-[(2Z)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-fluorobenzamide
| Molecular Formula | C16H12FN3OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0685 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 149045-52-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F |
| InChIKey | CNRHJAIHQPJJRY-UHFFFAOYSA-N |
Product Overview
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CAS 149045-52-3), with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol. IUPAC: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
The XLogP value of 3.6 indicates that N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide 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 N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is 149045-52-3.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is C16H12FN3OS.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is 313.07 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.