N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide
TL;DR: N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide (CAS 58139-58-5) is a chemical compound with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-nitro-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
Also Known As: n-[4-2-thiazolyl]acetamide, N-[4- -2-thiazolyl]acetamide, 2-Acetylamino-4-(4-nitro-2-pyrrolyl)thiazole, N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide, N-(4-(4-Nitro-2-pyrrolyl)-2-thiazolyl)acetamide
| Molecular Formula | C9H8N4O3S |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03171 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 58139-58-5 |
|---|---|
| SMILES | CC(=O)NC1=NC(=CS1)C2=CC(=CN2)[N+](=O)[O-] |
| InChIKey | XCOQAFYSNOUYJX-UHFFFAOYSA-N |
Product Overview
N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide (CAS 58139-58-5), with molecular formula C9H8N4O3S and molecular weight 252.03 g/mol. IUPAC: N-[4-(4-nitro-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide
Property Insights of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide. Following Lipinski's Rule of Five, N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide 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-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide?
The CAS number of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide is 58139-58-5.
What is the molecular formula of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide?
The molecular formula of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide is C9H8N4O3S.
What is the molecular weight of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide?
The molecular weight of N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide is 252.03 g/mol.
Where can I buy N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide?
You can request a quote for N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(4-Nitro-1H-pyrrol-2-yl)-2-thiazolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.