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

C15H15F3N2O3S — CID 15104324

IUPACethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1Oc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S/c1-3-11-20-13(12(24-11)14(21)22-4-2)23-8-5-6-10(19)9(7-8)15(16,17)18/h5-7H,3-4,19H2,1-2H3
InChIKeyKNAPRRVYDXECFM-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.28
Rot. Bonds5

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

ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 15104324) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate
PubChem CID15104324
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Nameethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC)nc1Oc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S/c1-3-11-20-13(12(24-11)14(21)22-4-2)23-8-5-6-10(19)9(7-8)15(16,17)18/h5-7H,3-4,19H2,1-2H3
InChIKeyKNAPRRVYDXECFM-UHFFFAOYSA-N
XLogP4.28
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-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 3-[4-amino-3-(trifluoromethyl)phenoxy]-1-ethylpyrazole-4-carboxylate
CID 139934929
ethyl 2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 19991840
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
CID 103174413
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
ethyl 4-(4-chlorophenoxy)-2-(trifluoromethyl)benzoate
CID 167437593
ethyl 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 71777331
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
ethyl 4-(3,4-difluorophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26454856
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate (CID 15104324) is ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CC)nc1Oc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is KNAPRRVYDXECFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-3-11-20-13(12(24-11)14(21)22-4-2)23-8-5-6-10(19)9(7-8)15(16,17)18/h5-7H,3-4,19H2,1-2H3.
What are the key properties of ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate?
ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 360.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 15104324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).