N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
TL;DR: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (CAS 514218-90-7) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
Also Known As: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide, 2-{3-nitro-1H-pyrazol-1-yl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide, N~1~-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)-2-(3-NITRO-1H-PYRAZOL-1-YL)ACETAMIDE
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.34812 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 869.568 |
Chemical Identifiers
| CAS Number | 514218-90-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-] |
Product Overview
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (CAS 514218-90-7), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
Property Insights of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
The XLogP value of 2.34812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-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 N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The CAS number of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is 514218-90-7.
What is the molecular formula of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The molecular formula of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is C13H11N5O3S.
What is the molecular weight of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The molecular weight of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is 317.06 g/mol.
Where can I buy N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
You can request a quote for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.