N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
TL;DR: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CAS 77414-57-4) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Also Known As: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 77414-57-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CC3 |
| InChIKey | XYYQNRIVHXLBMT-UHFFFAOYSA-N |
Product Overview
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CAS 77414-57-4), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
Chemical Property Profile of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Property Insights of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
The XLogP value of 3.1 indicates that N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide. Following Lipinski's Rule of Five, N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide 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-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The CAS number of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is 77414-57-4.
What is the molecular formula of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The molecular formula of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is C13H14N2OS.
What is the molecular weight of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The molecular weight of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is 246.08 g/mol.
Where can I buy N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
You can request a quote for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.