![2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide structure](/static/products/5142/514218-37-2.webp)
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 514218-37-2) is a chemical compound with molecular formula C14H10F3N5O3S and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, N-{6-nitro-1,3-benzothiazol-2-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitrobenzothiazol-2-yl)acetamide
| Molecular Formula | C14H10F3N5O3S |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.36692 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.04565 |
| Heavy Atoms | 26 |
| Complexity | 1011.08405 |
Chemical Identifiers
| CAS Number | 514218-37-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 514218-37-2), with molecular formula C14H10F3N5O3S and molecular weight 385.05 g/mol. IUPAC: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 3.36692 indicates that 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 6 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 514218-37-2.
What is the molecular formula of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is C14H10F3N5O3S.
What is the molecular weight of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 385.05 g/mol.
Where can I buy 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
You can request a quote for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.