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

C10H9N3OS — CID 135631996

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1-c1nc(C2CC2)no1
InChIInChI=1S/C10H9N3OS/c15-10-7(2-1-5-11-10)9-12-8(13-14-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,11,15)
InChIKeyIEIHLMNWAQMJFJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.67
Rot. Bonds2

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

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione (PubChem CID 135631996) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
PubChem CID135631996
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1-c1nc(C2CC2)no1
InChIInChI=1S/C10H9N3OS/c15-10-7(2-1-5-11-10)9-12-8(13-14-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,11,15)
InChIKeyIEIHLMNWAQMJFJ-UHFFFAOYSA-N
XLogP2.67
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
CID 135981687
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527923
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
2-bromo-6-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392853
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 19886302

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione (CID 135631996) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione is S=c1[nH]cccc1-c1nc(C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
The InChIKey is IEIHLMNWAQMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c15-10-7(2-1-5-11-10)9-12-8(13-14-9)6-3-4-6/h1-2,5-6H,3-4H2,(H,11,15).
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione has a molecular weight of 219.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 135631996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).