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

C13H9FN2OS2 — CID 647044

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H9FN2OS2/c14-10-5-2-1-4-9(10)8-19-13-16-15-12(17-13)11-6-3-7-18-11/h1-7H,8H2
InChIKeyVLKILGMZOMZYGQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.23
Rot. Bonds4

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

2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 647044) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID647044
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H9FN2OS2/c14-10-5-2-1-4-9(10)8-19-13-16-15-12(17-13)11-6-3-7-18-11/h1-7H,8H2
InChIKeyVLKILGMZOMZYGQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 647044) is 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Fc1ccccc1CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is VLKILGMZOMZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-10-5-2-1-4-9(10)8-19-13-16-15-12(17-13)11-6-3-7-18-11/h1-7H,8H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2-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-[(2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 647044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).