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

C14H9FN2O2S2 — CID 865192

IUPAC1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S2/c15-10-5-3-9(4-6-10)11(18)8-21-14-17-16-13(19-14)12-2-1-7-20-12/h1-7H,8H2
InChIKeyGHOSLWGGGQYWDD-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.91
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 865192) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID865192
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC Name1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S2/c15-10-5-3-9(4-6-10)11(18)8-21-14-17-16-13(19-14)12-2-1-7-20-12/h1-7H,8H2
InChIKeyGHOSLWGGGQYWDD-UHFFFAOYSA-N
XLogP3.91
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 865192) is 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is GHOSLWGGGQYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c15-10-5-3-9(4-6-10)11(18)8-21-14-17-16-13(19-14)12-2-1-7-20-12/h1-7H,8H2.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 320.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 865192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).