N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide
TL;DR: N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide (CAS 6314-73-4) is a chemical compound with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Also Known As: BAS 05276886, N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide, 4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide, N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamide
| Molecular Formula | C12H15N3O2S2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06058 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6314-73-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C(C)C |
| InChIKey | RVZBTLZCOLGOHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide (CAS 6314-73-4), with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol. IUPAC: 4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide
Property Insights of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide. Following Lipinski's Rule of Five, N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide has 1 hydrogen bond donor(s) and 6 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-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide?
The CAS number of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide is 6314-73-4.
What is the molecular formula of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide?
The molecular formula of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide is C12H15N3O2S2.
What is the molecular weight of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide?
The molecular weight of N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide is 297.06 g/mol.
Where can I buy N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide?
You can request a quote for N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-p-toluenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.