2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone
TL;DR: 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone (CAS 121953-07-9) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-imino-4-methyl-1,3-thiazol-3-yl)-1-phenylethanone
Also Known As: 2-imino-4-methyl-3-phenacyl-2,3-dihydrothiazole, AB-601/30966060, 2-(2-imino-4-methyl-1,3-thiazol-3-yl)-1-phenylethanone, 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone
Technical Specifications
| Molecular Formula | C12H12N2OS |
| Molecular Weight | 232.06703 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06703 Da |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
| SMILES | CC1=CSC(=N)N1CC(=O)C2=CC=CC=C2 |
| InChIKey | ZJRMVNURWZBMGL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone
Property Insights of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone. Following Lipinski's Rule of Five, 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone?
The CAS number of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone is 121953-07-9.
What is the molecular formula of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone?
The molecular formula of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone is C12H12N2OS.
What is the molecular weight of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone?
The molecular weight of 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone is 232.06703 g/mol.
Where can I buy 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone?
You can request a quote for 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone?
Yes, CoreyChem provides custom synthesis services for 2-(2-imino-4-methyl-1,3-thiazol-3(2H)-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.