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

C8H10N4OS — CID 4615751

IUPAC5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1cc(-c2n[nH]c(=S)o2)n(C)n1
InChIInChI=1S/C8H10N4OS/c1-3-5-4-6(12(2)11-5)7-9-10-8(14)13-7/h4H,3H2,1-2H3,(H,10,14)
InChIKeyUGMGEWLQRKQSAH-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.70
Rot. Bonds2

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

5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 4615751) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID4615751
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1cc(-c2n[nH]c(=S)o2)n(C)n1
InChIInChI=1S/C8H10N4OS/c1-3-5-4-6(12(2)11-5)7-9-10-8(14)13-7/h4H,3H2,1-2H3,(H,10,14)
InChIKeyUGMGEWLQRKQSAH-UHFFFAOYSA-N
XLogP1.70
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.70
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-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 4615751) is 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is CCc1cc(-c2n[nH]c(=S)o2)n(C)n1.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is UGMGEWLQRKQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-5-4-6(12(2)11-5)7-9-10-8(14)13-7/h4H,3H2,1-2H3,(H,10,14).
What are the key properties of 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 210.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 4615751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).