(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
TL;DR: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide (CAS 849915-77-1) is a chemical compound with molecular formula C15H12N4O2S2 and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide, N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide, N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide
| Molecular Formula | C15H12N4O2S2 |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 1.9663 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.04016 |
| Heavy Atoms | 23 |
| Complexity | 813.89417 |
Chemical Identifiers
| CAS Number | 849915-77-1 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 |
Product Overview
(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide (CAS 849915-77-1), with molecular formula C15H12N4O2S2 and molecular weight 344.04 g/mol. IUPAC: N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
Property Insights of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
The XLogP value of 1.9663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide. Following Lipinski's Rule of Five, (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-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 (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The CAS number of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is 849915-77-1.
What is the molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is C15H12N4O2S2.
What is the molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is 344.04 g/mol.
Where can I buy (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
You can request a quote for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.