1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone

C12H9F3N2O2S — CID 2746913

IUPAC1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C12H9F3N2O2S/c1-7(18)9-5-20-11(17-9)8-2-3-10(16-4-8)19-6-12(13,14)15/h2-5H,6H2,1H3
InChIKeyVWYDNTSLWJBWGN-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone

1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 2746913) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone
PubChem CID2746913
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C12H9F3N2O2S/c1-7(18)9-5-20-11(17-9)8-2-3-10(16-4-8)19-6-12(13,14)15/h2-5H,6H2,1H3
InChIKeyVWYDNTSLWJBWGN-UHFFFAOYSA-N
XLogP3.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone (CID 2746913) is 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is VWYDNTSLWJBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-7(18)9-5-20-11(17-9)8-2-3-10(16-4-8)19-6-12(13,14)15/h2-5H,6H2,1H3.
What are the key properties of 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 302.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 2746913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).