5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione

C6H11N3OS — CID 71337557

IUPAC5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)CCc1n[nH]c(=S)o1
InChIInChI=1S/C6H11N3OS/c1-9(2)4-3-5-7-8-6(11)10-5/h3-4H2,1-2H3,(H,8,11)
InChIKeyOLMCLAKNASWDPO-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.84
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 71337557) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID71337557
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCN(C)CCc1n[nH]c(=S)o1
InChIInChI=1S/C6H11N3OS/c1-9(2)4-3-5-7-8-6(11)10-5/h3-4H2,1-2H3,(H,8,11)
InChIKeyOLMCLAKNASWDPO-UHFFFAOYSA-N
XLogP0.84
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.84
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-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione (CID 71337557) is 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione is CN(C)CCc1n[nH]c(=S)o1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is OLMCLAKNASWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-9(2)4-3-5-7-8-6(11)10-5/h3-4H2,1-2H3,(H,8,11).
What are the key properties of 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 173.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 71337557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).