ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C8H8F3NO2S — CID 46835627

IUPACethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3NO2S/c1-3-14-6(13)5-4(2)12-7(15-5)8(9,10)11/h3H2,1-2H3
InChIKeyDKXSMRQYRJAVNT-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.65
Rot. Bonds2

About ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 46835627) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID46835627
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Nameethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3NO2S/c1-3-14-6(13)5-4(2)12-7(15-5)8(9,10)11/h3H2,1-2H3
InChIKeyDKXSMRQYRJAVNT-UHFFFAOYSA-N
XLogP2.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 46835627) is ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(F)(F)F)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DKXSMRQYRJAVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-3-14-6(13)5-4(2)12-7(15-5)8(9,10)11/h3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 239.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 46835627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).