![1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone structure](/static/products/4391/439112-07-9.webp)
1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone
TL;DR: 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone (CAS 439112-07-9) is a chemical compound with molecular formula C13H11F3N2OS and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanone
Also Known As: 1-{4-methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone, 1-(4-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1,3-thiazol-5-yl)ethan-1-one, 1-[4-methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanone, 1-[4-methyl-2-[4-(trifluoromethyl)anilino]thiazol-5-yl]ethanone, 1-{4-Methyl-2-4-(trifluoromethyl)anilino-1,3-thiazol-5-yl}-1-ethanone
| Molecular Formula | C13H11F3N2OS |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 4.41652 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0544 |
| Heavy Atoms | 20 |
| Complexity | 632.0561 |
Chemical Identifiers
| CAS Number | 439112-07-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)C |
Product Overview
1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone (CAS 439112-07-9), with molecular formula C13H11F3N2OS and molecular weight 300.05 g/mol. IUPAC: 1-[4-methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanone.
Chemical Property Profile of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone
Property Insights of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone
The XLogP value of 4.41652 indicates that 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone has 1 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 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone?
The CAS number of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone is 439112-07-9.
What is the molecular formula of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone?
The molecular formula of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone is C13H11F3N2OS.
What is the molecular weight of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone?
The molecular weight of 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone is 300.05 g/mol.
Where can I buy 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone?
You can request a quote for 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Methyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.