2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
TL;DR: 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide (CAS 79798-95-1) is a chemical compound with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-methylbenzamide
Also Known As: 2-( -5-nitro-3 -thiazoleacetamide, 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide, 2-((2-Methylbenzoyl)imino)-5-nitro-4-thiazoline-3-acetamide, 3(2H)-Thiazoleacetamide, 2-((2-methylbenzoyl)imino)-5-nitro-, 2-[(2-methylbenzoyl)imino]-5-nitro-4-thiazoline-3-acetamide
| Molecular Formula | C13H12N4O4S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 0.99262 |
| Topological Polar Surface Area | 120.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.05792 |
| Heavy Atoms | 22 |
| Complexity | 821.44275 |
Chemical Identifiers
| CAS Number | 79798-95-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N |
Product Overview
2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide (CAS 79798-95-1), with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol. IUPAC: N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-methylbenzamide.
Chemical Property Profile of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
Property Insights of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
The XLogP value of 0.99262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide. The TPSA of 120.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide. Following Lipinski's Rule of Five, 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide 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 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The CAS number of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is 79798-95-1.
What is the molecular formula of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The molecular formula of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is C13H12N4O4S.
What is the molecular weight of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The molecular weight of 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is 320.06 g/mol.
Where can I buy 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
You can request a quote for 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylbenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.