N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide
TL;DR: N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide (CAS 55376-17-5) is a chemical compound with molecular formula C8H6N4OS2 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
Also Known As: N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide, N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide, 1-((BENZAMIDO)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, 3-pyridyl-N-(5-sulfanyl(1,3,4-thiadiazol-2-yl))carboxamide, 3-Pyridinecarboxamide, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-
| Molecular Formula | C8H6N4OS2 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 1.84799 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.9983 |
| Heavy Atoms | 15 |
| Complexity | 518.6929 |
Chemical Identifiers
| CAS Number | 55376-17-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NC2=NNC(=S)S2 |
Product Overview
N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide (CAS 55376-17-5), with molecular formula C8H6N4OS2 and molecular weight 238.00 g/mol. IUPAC: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide.
Chemical Property Profile of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide
Property Insights of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide
The XLogP value of 1.84799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide. Following Lipinski's Rule of Five, N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide has 2 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-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide?
The CAS number of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide is 55376-17-5.
What is the molecular formula of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide?
The molecular formula of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide is C8H6N4OS2.
What is the molecular weight of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide?
The molecular weight of N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide is 238.00 g/mol.
Where can I buy N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide?
You can request a quote for N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.