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

C9H10F3NO3S — CID 13282763

IUPACethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OCC)nc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-3-15-7(14)5-6(9(10,11)12)13-8(17-5)16-4-2/h3-4H2,1-2H3
InChIKeyKJMCFTFRECNNEE-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.74
Rot. Bonds4

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

ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 13282763) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID13282763
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Nameethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OCC)nc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-3-15-7(14)5-6(9(10,11)12)13-8(17-5)16-4-2/h3-4H2,1-2H3
InChIKeyKJMCFTFRECNNEE-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 13282763) is ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(OCC)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is KJMCFTFRECNNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-3-15-7(14)5-6(9(10,11)12)13-8(17-5)16-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 269.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13282763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).