![2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile structure](/static/products/5651/565168-22-1.webp)
2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile
TL;DR: 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile (CAS 565168-22-1) is a chemical compound with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminomethylidene)-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b][1,3]thiazole-7-carbonitrile
Also Known As: 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile, 2-(dimethylaminomethylidene)-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b][1,3]thiazole-7-carbonitrile, 2-[(Dimethylamino)methylidene]-5-(4-nitrobenzoyl)-3-oxo-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carbonitrile
| Molecular Formula | C17H12N4O4S |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 1.39038 |
| Topological Polar Surface Area | 108.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.05792 |
| Heavy Atoms | 26 |
| Complexity | 1182.7793 |
Chemical Identifiers
| CAS Number | 565168-22-1 |
|---|---|
| SMILES | CN(C)C=C1C(=O)N2C(=CC(=C2S1)C#N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile (CAS 565168-22-1), with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol. IUPAC: 2-(dimethylaminomethylidene)-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b][1,3]thiazole-7-carbonitrile.
Chemical Property Profile of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile
Property Insights of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile
The XLogP value of 1.39038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile. The TPSA of 108.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile has 0 hydrogen bond donor(s) and 7 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 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile?
The CAS number of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile is 565168-22-1.
What is the molecular formula of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile?
The molecular formula of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile is C17H12N4O4S.
What is the molecular weight of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile?
The molecular weight of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile is 368.06 g/mol.
Where can I buy 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile?
You can request a quote for 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.