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

C7H5ClF3NO2S — CID 122508431

IUPACethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)15-6(8)12-3/h2H2,1H3
InChIKeyLOKGEVXPQKZHGT-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.99
Rot. Bonds2

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

ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 122508431) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID122508431
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Nameethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)15-6(8)12-3/h2H2,1H3
InChIKeyLOKGEVXPQKZHGT-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
ethyl 2-[(2-propan-2-yloxyacetyl)amino]-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 126841157
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate
CID 59208389
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 4-(3,4-dichlorophenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CID 121234846
ethyl 2-ethyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 95498234

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 122508431) is ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Cl)sc1C(F)(F)F.
What is the InChIKey of ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LOKGEVXPQKZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)15-6(8)12-3/h2H2,1H3.
What are the key properties of ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 259.64 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122508431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).