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

C7H8N4OS — CID 2747504

IUPAC5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1cc(-c2n[nH]c(=S)o2)nn1C
InChIInChI=1S/C7H8N4OS/c1-4-3-5(10-11(4)2)6-8-9-7(13)12-6/h3H,1-2H3,(H,9,13)
InChIKeyFNLPVNYSARWYOQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.44
Rot. Bonds1

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

5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 2747504) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID2747504
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1cc(-c2n[nH]c(=S)o2)nn1C
InChIInChI=1S/C7H8N4OS/c1-4-3-5(10-11(4)2)6-8-9-7(13)12-6/h3H,1-2H3,(H,9,13)
InChIKeyFNLPVNYSARWYOQ-UHFFFAOYSA-N
XLogP1.44
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione (CID 2747504) is 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione is Cc1cc(-c2n[nH]c(=S)o2)nn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is FNLPVNYSARWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-3-5(10-11(4)2)6-8-9-7(13)12-6/h3H,1-2H3,(H,9,13).
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 196.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 2747504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).