N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (CAS 149045-53-4) 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)-3-fluorobenzamide
Also Known As: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide, (3-fluorophenyl)-N-[5-benzyl(1,3,4-thiadiazol-2-yl)]carboxamide
| Molecular Formula | C16H12FN3OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.5203 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0685 |
| Heavy Atoms | 22 |
| Complexity | 788.84973 |
Chemical Identifiers
| CAS Number | 149045-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)F |
Product Overview
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (CAS 149045-53-4), with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol. IUPAC: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide.
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
The XLogP value of 3.5203 indicates that N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide has 1 hydrogen bond donor(s) and 4 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)-3-fluorobenzamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is 149045-53-4.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is C16H12FN3OS.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is 313.07 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-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)-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.