N-(1,3-benzothiazol-2-yl)-2-methylpropanamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-methylpropanamide (CAS 3028-04-4) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 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-methylpropanamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-methylpropanamide, TimTec1_002990, N-Benzothiazol-2-yl-isobutyramide, Propanamide,N-2-benzothiazolyl-2-methyl-, Propanamide, N-2-benzothiazolyl-2-methyl-
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 3028-04-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | CKLZVSGUBDNFIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzothiazol-2-yl)-2-methylpropanamide (CAS 3028-04-4), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-methylpropanamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzothiazol-2-yl)-2-methylpropanamide. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-methylpropanamide has 1 hydrogen bond donor(s) and 3 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-methylpropanamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide is 3028-04-4.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide is C11H12N2OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-methylpropanamide is 220.07 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-methylpropanamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-methylpropanamide 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-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.