3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide
TL;DR: 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide (CAS 154807-57-5) is a chemical compound with molecular formula C17H22N4O2S2 and molecular weight 378.1184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(butylcarbamoylamino)-3-methyl-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide
Also Known As: 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide, 4-Isothiazolecarboxamide, 5-(((butylamino)carbonyl)amino)-3-methyl-N-(4-(methylthio)phenyl)-, 5-(((Butylamino)carbonyl)amino)-3-methyl-N-(4-(methylthio)phenyl)-4-isothiazolecarboxamide, 5-[(BUTYLCARBAMOYL)AMINO]-3-METHYL-N-[4-(METHYLSULFANYL)PHENYL]-1,2-THIAZOLE-4-CARBOXAMIDE, 5-(3-Butylureido)-N-[4-(methylthio)phenyl]-3-methylisothiazole-4-carboxamide
Technical Specifications
| Molecular Formula | C17H22N4O2S2 |
| Molecular Weight | 378.1184 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.1184 Da |
| Heavy Atoms | 25 |
| Complexity | 444.0 |
| SMILES | CCCCNC(=O)NC1=C(C(=NS1)C)C(=O)NC2=CC=C(C=C2)SC |
| InChIKey | GKPKVJLPVKFJAK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide
Property Insights of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide
The XLogP value of 3.9 indicates that 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide. Following Lipinski's Rule of Five, 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide?
The CAS number of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide is 154807-57-5.
What is the molecular formula of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide?
The molecular formula of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide is C17H22N4O2S2.
What is the molecular weight of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide?
The molecular weight of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide is 378.1184 g/mol.
Where can I buy 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide?
You can request a quote for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid p-methylthioanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.