5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione

C6H4N2O2S — CID 18935368

IUPAC5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2ccoc2)o1
InChIInChI=1S/C6H4N2O2S/c11-6-8-7-5(10-6)4-1-2-9-3-4/h1-3H,(H,8,11)
InChIKeySEKFTJNJFFRRJP-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.99
Rot. Bonds1

About 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione

5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 18935368) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID18935368
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2ccoc2)o1
InChIInChI=1S/C6H4N2O2S/c11-6-8-7-5(10-6)4-1-2-9-3-4/h1-3H,(H,8,11)
InChIKeySEKFTJNJFFRRJP-UHFFFAOYSA-N
XLogP1.99
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione (CID 18935368) is 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2ccoc2)o1.
What is the InChIKey of 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is SEKFTJNJFFRRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c11-6-8-7-5(10-6)4-1-2-9-3-4/h1-3H,(H,8,11).
What are the key properties of 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 168.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 18935368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).