N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide
TL;DR: N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide (CAS 104388-92-3) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1,3-benzothiazol-2-yl)-N-methyloxamide
Also Known As: N-2-Benzothiazolyl-N'-methylethanediamide, Ethanediamide, N-2-benzothiazolyl-N'-methyl-, Ethanediamide,N-2-benzothiazolyl-N-methyl, N'-(1,3-benzothiazol-2-yl)-N-methyloxamide, N'-(1,3-benzothiazol-2-yl)-N'-methyloxamide
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 0.9808 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 516.7427 |
Chemical Identifiers
| CAS Number | 104388-92-3 |
|---|---|
| SMILES | CNC(=O)C(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide (CAS 104388-92-3), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: N'-(1,3-benzothiazol-2-yl)-N-methyloxamide.
Chemical Property Profile of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide
Property Insights of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide
The XLogP value of 0.9808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide. Following Lipinski's Rule of Five, N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide has 2 hydrogen bond donor(s) and 4 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~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide?
The CAS number of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide is 104388-92-3.
What is the molecular formula of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide?
The molecular formula of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide is C10H9N3O2S.
What is the molecular weight of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide?
The molecular weight of N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide is 235.04 g/mol.
Where can I buy N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide?
You can request a quote for N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(1,3-Benzothiazol-2-yl)-N~2~-methylethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.