N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide
TL;DR: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide (CAS 59898-98-5) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
Also Known As: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide, F3266-0165, N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide, N-[5-(methylethyl)(1,3,4-thiadiazol-2-yl)]-4-pyridylcarboxamide, N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.3088 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 509.1998 |
Chemical Identifiers
| CAS Number | 59898-98-5 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)C2=CC=NC=C2 |
Product Overview
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide (CAS 59898-98-5), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide
Property Insights of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide
The XLogP value of 2.3088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide. Following Lipinski's Rule of Five, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide 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-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide?
The CAS number of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide is 59898-98-5.
What is the molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide?
The molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide is C11H12N4OS.
What is the molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide?
The molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide is 248.07 g/mol.
Where can I buy N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide?
You can request a quote for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide 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)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.