2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C13H9FN2OS2 — CID 644516

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H9FN2OS2/c14-10-5-3-9(4-6-10)8-19-13-16-15-12(17-13)11-2-1-7-18-11/h1-7H,8H2
InChIKeyPGFOZBCUYUGOMO-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.23
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 644516) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID644516
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H9FN2OS2/c14-10-5-3-9(4-6-10)8-19-13-16-15-12(17-13)11-2-1-7-18-11/h1-7H,8H2
InChIKeyPGFOZBCUYUGOMO-UHFFFAOYSA-N
XLogP4.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-[(2,5-Dibromo-3-thienyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 2744468
(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-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
2-(2-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 647044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 644516) is 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is PGFOZBCUYUGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-10-5-3-9(4-6-10)8-19-13-16-15-12(17-13)11-2-1-7-18-11/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 292.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 644516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).