(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
TL;DR: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide (CAS 1164538-86-6) is a chemical compound with molecular formula C16H13N3O2S2 and molecular weight 343.04 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]benzamide
Also Known As: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, N-{5-[1-(1-Methyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-benzamide
| Molecular Formula | C16H13N3O2S2 |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 2.5713 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.04492 |
| Heavy Atoms | 23 |
| Complexity | 811.7427 |
Chemical Identifiers
| CAS Number | 1164538-86-6 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3 |
Product Overview
(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide (CAS 1164538-86-6), with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol. IUPAC: N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
Property Insights of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
The XLogP value of 2.5713 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)benzamide. With a topological polar surface area (TPSA) of 54.34 Ų, (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide 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
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)benzamide?
The CAS number of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide is 1164538-86-6.
What is the molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide?
The molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide is C16H13N3O2S2.
What is the molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide?
The molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide is 343.04 g/mol.
Where can I buy (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide?
You can request a quote for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide 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)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.