ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

C14H11F4NO2S — CID 71777331

IUPACethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2c(F)cccc2C(F)(F)F)nc1C
InChIInChI=1S/C14H11F4NO2S/c1-3-21-13(20)11-7(2)19-12(22-11)10-8(14(16,17)18)5-4-6-9(10)15/h4-6H,3H2,1-2H3
InChIKeyWUCGMUCPSGBSJZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.45
Rot. Bonds3

About ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71777331) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71777331
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC Nameethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2c(F)cccc2C(F)(F)F)nc1C
InChIInChI=1S/C14H11F4NO2S/c1-3-21-13(20)11-7(2)19-12(22-11)10-8(14(16,17)18)5-4-6-9(10)15/h4-6H,3H2,1-2H3
InChIKeyWUCGMUCPSGBSJZ-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-methyl-2-[3-methyl-5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66645098
ethyl 7-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 51063894
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
ethyl 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 47061933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 71777331) is ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2c(F)cccc2C(F)(F)F)nc1C.
What is the InChIKey of ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is WUCGMUCPSGBSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-3-21-13(20)11-7(2)19-12(22-11)10-8(14(16,17)18)5-4-6-9(10)15/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 333.31 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71777331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).