5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione

C10H6FN3OS — CID 139220759

IUPAC5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccc2cc(-c3n[nH]c(=S)o3)[nH]c2c1
InChIInChI=1S/C10H6FN3OS/c11-6-2-1-5-3-8(12-7(5)4-6)9-13-14-10(16)15-9/h1-4,12H,(H,14,16)
InChIKeyLFDDUVOTHYZUDM-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.02
Rot. Bonds1

About 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione

5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 139220759) has the molecular formula C10H6FN3OS and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID139220759
Molecular FormulaC10H6FN3OS
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccc2cc(-c3n[nH]c(=S)o3)[nH]c2c1
InChIInChI=1S/C10H6FN3OS/c11-6-2-1-5-3-8(12-7(5)4-6)9-13-14-10(16)15-9/h1-4,12H,(H,14,16)
InChIKeyLFDDUVOTHYZUDM-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (CID 139220759) is 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is Fc1ccc2cc(-c3n[nH]c(=S)o3)[nH]c2c1.
What is the InChIKey of 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is LFDDUVOTHYZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS/c11-6-2-1-5-3-8(12-7(5)4-6)9-13-14-10(16)15-9/h1-4,12H,(H,14,16).
What are the key properties of 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 235.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 139220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).