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

C10H10F3NO3S — CID 107376391

IUPACethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(F)(F)F)sc1C(C)=O
InChIInChI=1S/C10H10F3NO3S/c1-3-17-9(16)7-8(5(2)15)18-6(14-7)4-10(11,12)13/h3-4H2,1-2H3
InChIKeyIVYFHRRTVMGSHX-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.63
Rot. Bonds4

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

ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate (PubChem CID 107376391) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
PubChem CID107376391
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Nameethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC(F)(F)F)sc1C(C)=O
InChIInChI=1S/C10H10F3NO3S/c1-3-17-9(16)7-8(5(2)15)18-6(14-7)4-10(11,12)13/h3-4H2,1-2H3
InChIKeyIVYFHRRTVMGSHX-UHFFFAOYSA-N
XLogP2.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate (CID 107376391) is ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC(F)(F)F)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is IVYFHRRTVMGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-3-17-9(16)7-8(5(2)15)18-6(14-7)4-10(11,12)13/h3-4H2,1-2H3.
What are the key properties of ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107376391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).