N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine
TL;DR: N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine (CAS 72041-80-6) is a chemical compound with molecular formula C13H16ClN5S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(5-chloro-2-pyridinyl)-3-(1,3-thiazol-2-yl)guanidine
Also Known As: Guanidine, 1-tert-butyl-2-(5-chloro-2-pyridyl)-3-(2-thiazolyl)-, N-(5-Chloro-2-pyridinyl)-N'-(1,1-dimethylethyl)-N''-2-thiazolylguanidine, N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine, Guanidine, N-(5-chloro-2-pyridinyl)-N'-(1,1-dimethylethyl)-N''-2-thiazolyl-, (E)-1-(tert-butyl)-2-(5-chloropyridin-2-yl)-3-(thiazol-2-yl)guanidine
| Molecular Formula | C13H16ClN5S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.08148 |
| Heavy Atoms | 20 |
| Complexity | 571.809 |
Chemical Identifiers
| CAS Number | 72041-80-6 |
|---|---|
| SMILES | CC(C)(C)N=C(NC1=NC=C(C=C1)Cl)NC2=NC=CS2 |
Product Overview
N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine (CAS 72041-80-6), with molecular formula C13H16ClN5S and molecular weight 309.08 g/mol. IUPAC: 2-tert-butyl-1-(5-chloro-2-pyridinyl)-3-(1,3-thiazol-2-yl)guanidine.
Chemical Property Profile of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine
Property Insights of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine
The XLogP value of 3.87 indicates that N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine. Following Lipinski's Rule of Five, N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine 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
Frequently Asked Questions
What is the CAS number of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine?
The CAS number of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine is 72041-80-6.
What is the molecular formula of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine?
The molecular formula of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine is C13H16ClN5S.
What is the molecular weight of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine?
The molecular weight of N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine is 309.08 g/mol.
Where can I buy N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine?
You can request a quote for N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-N''-(5-chloropyridin-2-yl)-N'-1,3-thiazol-2-ylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.