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

C8H8F3NO2S — CID 1486077

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

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

ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 1486077) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID1486077
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Nameethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
InChIKeyFKNJDCSKTSRSSW-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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Related Compounds

Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 2824057
5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
CID 298610
Ethyl 2,4-dimethylthiazole-5-carboxylate
CID 603810
Diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
CID 2769386
Ethyl 2-[(2-ethoxy-2-oxoethyl)thio]-4-methyl-1,3-thiazole-5-carboxylate
CID 2148129
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
CID 594903
Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 1235240
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Bromo-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
CID 13282759
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
Methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 13015616
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 1486077) is ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FKNJDCSKTSRSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-methyl-4-(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 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1486077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).