N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide
TL;DR: N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide (CAS 134328-39-5) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(1,3-benzothiazol-2-yl)-N-methylbutanediamide
Also Known As: N'-(1,3-benzothiazol-2-yl)-N-methylbutanediamide, N1-(benzo[d]thiazol-2-yl)-N4-methylsuccinamide, N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide
Technical Specifications
| Molecular Formula | C12H13N3O2S |
| Molecular Weight | 263.07285 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 Da |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
| SMILES | CNC(=O)CCC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | SKMSSKXJBZFRKJ-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide
Property Insights of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide 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
What is the CAS number of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide is 134328-39-5.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide is C12H13N3O2S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide is 263.07285 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-N'-methylbutanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.