1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone

C11H12F3NOSSi — CID 170741013

IUPAC1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C#C[Si](C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H12F3NOSSi/c1-7(16)9-10(11(12,13)14)15-8(17-9)5-6-18(2,3)4/h1-4H3
InChIKeyOLFRTUIQKWJYEG-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.59
Rot. Bonds1

About 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone

1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 170741013) has the molecular formula C11H12F3NOSSi and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone
PubChem CID170741013
Molecular FormulaC11H12F3NOSSi
Molecular Weight291.37 g/mol
Exact Mass291.04
IUPAC Name1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C#C[Si](C)(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H12F3NOSSi/c1-7(16)9-10(11(12,13)14)15-8(17-9)5-6-18(2,3)4/h1-4H3
InChIKeyOLFRTUIQKWJYEG-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone (CID 170741013) is 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C#C[Si](C)(C)C)nc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OLFRTUIQKWJYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOSSi/c1-7(16)9-10(11(12,13)14)15-8(17-9)5-6-18(2,3)4/h1-4H3.
What are the key properties of 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone?
1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 291.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 170741013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).