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

C9H10F3NO2S — CID 145143142

IUPACethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-3-5-13-6(8(14)15-4-2)7(16-5)9(10,11)12/h3-4H2,1-2H3
InChIKeyGBMCDQQELRWWLU-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.90
Rot. Bonds3

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

ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 145143142) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID145143142
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Nameethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-3-5-13-6(8(14)15-4-2)7(16-5)9(10,11)12/h3-4H2,1-2H3
InChIKeyGBMCDQQELRWWLU-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 145143142) is ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC)sc1C(F)(F)F.
What is the InChIKey of ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GBMCDQQELRWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-3-5-13-6(8(14)15-4-2)7(16-5)9(10,11)12/h3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 253.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 145143142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).