4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole
TL;DR: 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole (CAS 116145-95-0) is a chemical compound with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea
Also Known As: 4-phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole, 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea, Urea,N-butyl-N'-(5-chloro-1,2-benzisothiazol-3-yl)-, N-Butyl-N'-(5-chloro-1,2-benzothiazol-3-yl)urea, 4,6-Dimethoxy-1H-indole-2-carboxylic acid methyl ester
| Molecular Formula | C12H14ClN3OS |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0546 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 116145-95-0 |
|---|---|
| SMILES | CCCCNC(=O)NC1=NSC2=C1C=C(C=C2)Cl |
| InChIKey | XFSUPIFIAITOHL-UHFFFAOYSA-N |
Product Overview
4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole (CAS 116145-95-0), with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol. IUPAC: 1-butyl-3-(5-chloro-1,2-benzothiazol-3-yl)urea.
Chemical Property Profile of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole
Property Insights of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole
The XLogP value of 3.5 indicates that 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole. Following Lipinski's Rule of Five, 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole has 2 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 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The CAS number of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole is 116145-95-0.
What is the molecular formula of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The molecular formula of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole is C12H14ClN3OS.
What is the molecular weight of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The molecular weight of 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole is 283.05 g/mol.
Where can I buy 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
You can request a quote for 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-2-(piperidin-1-ylmethyl)-1,3-thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.