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

C8H10F3NO2S — CID 19391744

IUPACethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(C)NC(C(F)(F)F)=CS1
InChIInChI=1S/C8H10F3NO2S/c1-3-14-6(13)7(2)12-5(4-15-7)8(9,10)11/h4,12H,3H2,1-2H3
InChIKeyNWVKZVSXPHFNDL-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.01
Rot. Bonds2

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

ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate (PubChem CID 19391744) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate
PubChem CID19391744
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Nameethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(C)NC(C(F)(F)F)=CS1
InChIInChI=1S/C8H10F3NO2S/c1-3-14-6(13)7(2)12-5(4-15-7)8(9,10)11/h4,12H,3H2,1-2H3
InChIKeyNWVKZVSXPHFNDL-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate (CID 19391744) is ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate is CCOC(=O)C1(C)NC(C(F)(F)F)=CS1.
What is the InChIKey of ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate?
The InChIKey is NWVKZVSXPHFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-3-14-6(13)7(2)12-5(4-15-7)8(9,10)11/h4,12H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate?
ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate has a molecular weight of 241.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(trifluoromethyl)-3H-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 19391744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).