N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide (CAS 170802-47-8) is a chemical compound with molecular formula C10H7N3OS and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide, n-(benzothiazol-2-yl)-2-cyanoacetamide, Acetamide, N-2-benzothiazolyl-2-cyano- (9CI), N-2-benzothiazolyl-benzenesulfonamide, N-benzothiazol-2-yl-2-cyano-acetamide
| Molecular Formula | C10H7N3OS |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 2.14848 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.03099 |
| Heavy Atoms | 15 |
| Complexity | 507.83624 |
Chemical Identifiers
| CAS Number | 170802-47-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CC#N |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide (CAS 170802-47-8), with molecular formula C10H7N3OS and molecular weight 217.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide
The XLogP value of 2.14848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide has 1 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-(1,3-benzothiazol-2-yl)-2-cyanoacetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide is 170802-47-8.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide is C10H7N3OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide is 217.03 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.