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

C16H11N3OS — CID 139220748

IUPAC5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2[nH]c3ccccc3c2-c2ccccc2)o1
InChIInChI=1S/C16H11N3OS/c21-16-19-18-15(20-16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,(H,19,21)
InChIKeyIGOYOVFXEQEFOC-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.55
Rot. Bonds2

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

5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 139220748) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID139220748
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(-c2[nH]c3ccccc3c2-c2ccccc2)o1
InChIInChI=1S/C16H11N3OS/c21-16-19-18-15(20-16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,(H,19,21)
InChIKeyIGOYOVFXEQEFOC-UHFFFAOYSA-N
XLogP4.55
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-phenyl-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-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (CID 139220748) is 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(-c2[nH]c3ccccc3c2-c2ccccc2)o1.
What is the InChIKey of 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is IGOYOVFXEQEFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c21-16-19-18-15(20-16)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,(H,19,21).
What are the key properties of 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 293.35 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 139220748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).