4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-
TL;DR: 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- (CAS 149486-83-9) is a chemical compound with molecular formula C13H13N3O2S2 and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylcarbamothioylamino)-1,3-thiazole-4-carboxylic acid
Also Known As: PETT Analog 44, PETT COOH deriv., 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-, 2-(phenethylcarbamothioylamino)thiazole-4-carboxylic acid, N-(2-Phenethyl)-N -(2-(4-carboxythiazolyl))thiourea
| Molecular Formula | C13H13N3O2S2 |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 2.3704 |
| Topological Polar Surface Area | 74.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.04492 |
| Heavy Atoms | 20 |
| Complexity | 598.6736 |
Chemical Identifiers
| CAS Number | 149486-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NC2=NC(=CS2)C(=O)O |
Product Overview
4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- (CAS 149486-83-9), with molecular formula C13H13N3O2S2 and molecular weight 307.04 g/mol. IUPAC: 2-(2-phenylethylcarbamothioylamino)-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-
Property Insights of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-
The XLogP value of 2.3704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-. The TPSA of 74.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-. Following Lipinski's Rule of Five, 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- has 3 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 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-?
The CAS number of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- is 149486-83-9.
What is the molecular formula of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-?
The molecular formula of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- is C13H13N3O2S2.
What is the molecular weight of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-?
The molecular weight of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- is 307.04 g/mol.
Where can I buy 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-?
You can request a quote for 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.