3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide
TL;DR: 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide (CAS 1016429-47-2) is a chemical compound with molecular formula C16H13FN2OS and molecular weight 300.07327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide
Also Known As: 3-benzothiazol-2-yl-N-(4-fluorophenyl)propanamide, 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide
Technical Specifications
| Molecular Formula | C16H13FN2OS |
| Molecular Weight | 300.07327 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07327 Da |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=C(C=C3)F |
| InChIKey | IEYFHPLVEWJORX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide
Property Insights of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide
The XLogP value of 3.6 indicates that 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide 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
What is the CAS number of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The CAS number of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide is 1016429-47-2.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide is C16H13FN2OS.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide is 300.07327 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.