methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate
TL;DR: methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate (CAS 371129-45-2) is a chemical compound with molecular formula C15H15N3O3S2 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-2-[(4-methylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate
Also Known As: methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate, 4-Methyl-2-[3-(4-methyl-benzoyl)-thioureido]-thiazole-5-carboxylic acid methyl ester, methyl 4-methyl-2-[(4-methylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate, methyl (2Z)-4-methyl-2-({[(4-methylphenyl)carbonyl]carbamothioyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C15H15N3O3S2 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.05548 |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 371129-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C |
| InChIKey | HBAWMXWARNDNAA-UHFFFAOYSA-N |
Product Overview
methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate (CAS 371129-45-2), with molecular formula C15H15N3O3S2 and molecular weight 349.06 g/mol. IUPAC: methyl 4-methyl-2-[(4-methylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate
Property Insights of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate
The XLogP value of 3.8 indicates that methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate?
The CAS number of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate is 371129-45-2.
What is the molecular formula of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate?
The molecular formula of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate is C15H15N3O3S2.
What is the molecular weight of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate?
The molecular weight of methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate is 349.06 g/mol.
Where can I buy methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate?
You can request a quote for methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-methyl-2-(3-(4-methylbenzoyl)thioureido)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.