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

C8H8N4OS — CID 6419260

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(C3CC3)[nH]n2)o1
InChIInChI=1S/C8H8N4OS/c14-8-12-11-7(13-8)6-3-5(9-10-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)(H,12,14)
InChIKeyNWNKLIXXOJJMLJ-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.00
Rot. Bonds2

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

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 6419260) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID6419260
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2cc(C3CC3)[nH]n2)o1
InChIInChI=1S/C8H8N4OS/c14-8-12-11-7(13-8)6-3-5(9-10-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)(H,12,14)
InChIKeyNWNKLIXXOJJMLJ-UHFFFAOYSA-N
XLogP2.00
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
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-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione (CID 6419260) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2cc(C3CC3)[nH]n2)o1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is NWNKLIXXOJJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c14-8-12-11-7(13-8)6-3-5(9-10-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)(H,12,14).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 208.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 6419260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).