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N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide
TL;DR: N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide (CAS 680217-97-4) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
Also Known As: N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide, N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide, 4-Pyridinecarboxamide, 2-chloro-N-[4-(1,1-dimethylethyl)-2-thiazolyl]-, 2-Chloro-N-[4-(1,1-dimethylethyl)-2-thiazolyl]-4-pyridinecarboxamide, N-[4-(tert-butyl)(1,3-thiazol-2-yl)](2-chloro(4-pyridyl))carboxamide
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.7413 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 603.93097 |
Chemical Identifiers
| CAS Number | 680217-97-4 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=NC=C2)Cl |
Product Overview
N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide (CAS 680217-97-4), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide.
Chemical Property Profile of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide
Property Insights of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide
The XLogP value of 3.7413 indicates that N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide 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-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide?
The CAS number of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide is 680217-97-4.
What is the molecular formula of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide?
The molecular formula of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide is C13H14ClN3OS.
What is the molecular weight of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide?
The molecular weight of N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide is 295.05 g/mol.
Where can I buy N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide?
You can request a quote for N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(tert-Butyl)-1,3-thiazol-2-yl]-2-chloroisonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.