2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone

C12H5F3N2O2S2 — CID 44562606

IUPAC2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3cccs3)no2)s1)C(F)(F)F
InChIInChI=1S/C12H5F3N2O2S2/c13-12(14,15)9(18)6-3-4-8(21-6)11-16-10(17-19-11)7-2-1-5-20-7/h1-5H
InChIKeyHYKSAOKILFBKEU-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.27
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (PubChem CID 44562606) has the molecular formula C12H5F3N2O2S2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
PubChem CID44562606
Molecular FormulaC12H5F3N2O2S2
Molecular Weight330.31 g/mol
Exact Mass329.97
IUPAC Name2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3cccs3)no2)s1)C(F)(F)F
InChIInChI=1S/C12H5F3N2O2S2/c13-12(14,15)9(18)6-3-4-8(21-6)11-16-10(17-19-11)7-2-1-5-20-7/h1-5H
InChIKeyHYKSAOKILFBKEU-UHFFFAOYSA-N
XLogP4.27
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
CID 44562766
2,2,2-trifluoro-1-[5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 44562800
2,2,2-trifluoro-1-[5-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 68508734
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
CID 21093218

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (CID 44562606) is 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is O=C(c1ccc(-c2nc(-c3cccs3)no2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The InChIKey is HYKSAOKILFBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O2S2/c13-12(14,15)9(18)6-3-4-8(21-6)11-16-10(17-19-11)7-2-1-5-20-7/h1-5H.
What are the key properties of 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone has a molecular weight of 330.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 44562606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).