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

C7H10N2OS — CID 107002027

IUPAC5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC1(C)CC1c1n[nH]c(=S)o1
InChIInChI=1S/C7H10N2OS/c1-7(2)3-4(7)5-8-9-6(11)10-5/h4H,3H2,1-2H3,(H,9,11)
InChIKeyHQDHLOMZIITHFK-UHFFFAOYSA-N
MW170.24 g/mol
LogP2.25
Rot. Bonds1

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

5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 107002027) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID107002027
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC1(C)CC1c1n[nH]c(=S)o1
InChIInChI=1S/C7H10N2OS/c1-7(2)3-4(7)5-8-9-6(11)10-5/h4H,3H2,1-2H3,(H,9,11)
InChIKeyHQDHLOMZIITHFK-UHFFFAOYSA-N
XLogP2.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione (CID 107002027) is 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione is CC1(C)CC1c1n[nH]c(=S)o1.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is HQDHLOMZIITHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-7(2)3-4(7)5-8-9-6(11)10-5/h4H,3H2,1-2H3,(H,9,11).
What are the key properties of 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 170.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 107002027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).