5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione

C16H11N5OS — CID 91754592

IUPAC5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione
SMILESNc1ncc(-c2cnc3ccccc3c2)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23)
InChIKeyBIPBSLWNCVJIOQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.59
Rot. Bonds2

About 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione

5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 91754592) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID91754592
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione
SMILESNc1ncc(-c2cnc3ccccc3c2)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23)
InChIKeyBIPBSLWNCVJIOQ-UHFFFAOYSA-N
XLogP3.59
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-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-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione (CID 91754592) is 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione is Nc1ncc(-c2cnc3ccccc3c2)cc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is BIPBSLWNCVJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-14-12(15-20-21-16(23)22-15)6-11(8-19-14)10-5-9-3-1-2-4-13(9)18-7-10/h1-8H,(H2,17,19)(H,21,23).
What are the key properties of 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 321.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-quinolin-3-yl-3-pyridinyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 91754592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).