3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione

C10H11N3OS — CID 135981687

IUPAC3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
SMILESCCCc1noc(-c2ccc[nH]c2=S)n1
InChIInChI=1S/C10H11N3OS/c1-2-4-8-12-9(14-13-8)7-5-3-6-11-10(7)15/h3,5-6H,2,4H2,1H3,(H,11,15)
InChIKeyZJQRUNDPTIPGDO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.75
Rot. Bonds3

About 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione

3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione (PubChem CID 135981687) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
PubChem CID135981687
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
SMILESCCCc1noc(-c2ccc[nH]c2=S)n1
InChIInChI=1S/C10H11N3OS/c1-2-4-8-12-9(14-13-8)7-5-3-6-11-10(7)15/h3,5-6H,2,4H2,1H3,(H,11,15)
InChIKeyZJQRUNDPTIPGDO-UHFFFAOYSA-N
XLogP2.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.75
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 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The IUPAC name of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione (CID 135981687) is 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione is CCCc1noc(-c2ccc[nH]c2=S)n1.
What is the InChIKey of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The InChIKey is ZJQRUNDPTIPGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-4-8-12-9(14-13-8)7-5-3-6-11-10(7)15/h3,5-6H,2,4H2,1H3,(H,11,15).
What are the key properties of 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione has a molecular weight of 221.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 135981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).