ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate

C15H14F3NO3S — CID 57140026

IUPACethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c1-3-11-19-13(12(23-11)14(20)21-4-2)22-10-8-6-5-7-9(10)15(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyNZENGESYFSHPHC-UHFFFAOYSA-N
MW345.34 g/mol
LogP4.69
Rot. Bonds5

About ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate

ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate (PubChem CID 57140026) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
PubChem CID57140026
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Nameethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c1-3-11-19-13(12(23-11)14(20)21-4-2)22-10-8-6-5-7-9(10)15(16,17)18/h5-8H,3-4H2,1-2H3
InChIKeyNZENGESYFSHPHC-UHFFFAOYSA-N
XLogP4.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate (CID 57140026) is ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CC)nc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The InChIKey is NZENGESYFSHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-3-11-19-13(12(23-11)14(20)21-4-2)22-10-8-6-5-7-9(10)15(16,17)18/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate?
ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate has a molecular weight of 345.34 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57140026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).