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

C14H9FN2O2S2 — CID 860218

IUPAC1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccccc1F
InChIInChI=1S/C14H9FN2O2S2/c15-10-5-2-1-4-9(10)11(18)8-21-14-17-16-13(19-14)12-6-3-7-20-12/h1-7H,8H2
InChIKeyKGSVZDIHVQHHMO-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.91
Rot. Bonds5

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

1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 860218) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID860218
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC Name1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccccc1F
InChIInChI=1S/C14H9FN2O2S2/c15-10-5-2-1-4-9(10)11(18)8-21-14-17-16-13(19-14)12-6-3-7-20-12/h1-7H,8H2
InChIKeyKGSVZDIHVQHHMO-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

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

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Related Compounds

7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
CID 24950842
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
2-[(2-Fluorobenzyl)thio]-5-phenyl-1,3,4-oxadiazole
CID 783687
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2,2,2-Trifluoro-1-(5-(5-p-tolyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44562605
2,2,2-Trifluoro-1-(5-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44562607
2,2,2-Trifluoro-1-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
1-Phenyl-2-((5-(3-thienylmethyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 2744194
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 860218) is 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccs2)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is KGSVZDIHVQHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c15-10-5-2-1-4-9(10)11(18)8-21-14-17-16-13(19-14)12-6-3-7-20-12/h1-7H,8H2.
What are the key properties of 1-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2-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-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 860218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).