3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione

C6H4N2OS2 — CID 62957740

IUPAC3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione
SMILESS=c1nc(-c2cccs2)[nH]o1
InChIInChI=1S/C6H4N2OS2/c10-6-7-5(8-9-6)4-2-1-3-11-4/h1-3H,(H,7,8,10)
InChIKeyBTJRHAMOEYRTRE-UHFFFAOYSA-N
MW184.25 g/mol
LogP2.46
Rot. Bonds1

About 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione

3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione (PubChem CID 62957740) has the molecular formula C6H4N2OS2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione.

Molecular Properties

Compound Name3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione
PubChem CID62957740
Molecular FormulaC6H4N2OS2
Molecular Weight184.25 g/mol
Exact Mass183.98
IUPAC Name3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione
SMILESS=c1nc(-c2cccs2)[nH]o1
InChIInChI=1S/C6H4N2OS2/c10-6-7-5(8-9-6)4-2-1-3-11-4/h1-3H,(H,7,8,10)
InChIKeyBTJRHAMOEYRTRE-UHFFFAOYSA-N
XLogP2.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 52.46
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-(6-methyl-2-pyridinyl)-2H-1,2,4-oxadiazole-5-thione
CID 63553668
2-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477146
6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106477898
5-bromo-6-cyclopropyl-2-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106480323
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 62733396
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
2-[[benzyl(methyl)amino]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 4845709
2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 92510205
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
CID 60978499
3,6-dithiophen-2-yldithiine
CID 86180239

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione?
The IUPAC name of 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione (CID 62957740) is 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione.
What is the SMILES notation for 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione?
The canonical SMILES for 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione is S=c1nc(-c2cccs2)[nH]o1.
What is the InChIKey of 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione?
The InChIKey is BTJRHAMOEYRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS2/c10-6-7-5(8-9-6)4-2-1-3-11-4/h1-3H,(H,7,8,10).
What are the key properties of 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione?
3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione has a molecular weight of 184.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione is sourced from PubChem (CID 62957740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).