3-amino-4,6-diphenyl-1H-pyridine-2-thione

C17H14N2S — CID 71159912

IUPAC3-amino-4,6-diphenyl-1H-pyridine-2-thione
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C17H14N2S/c18-16-14(12-7-3-1-4-8-12)11-15(19-17(16)20)13-9-5-2-6-10-13/h1-11H,18H2,(H,19,20)
InChIKeyOWWDUUULDAOSKG-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.66
Rot. Bonds2

About 3-amino-4,6-diphenyl-1H-pyridine-2-thione

3-amino-4,6-diphenyl-1H-pyridine-2-thione (PubChem CID 71159912) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-4,6-diphenyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-4,6-diphenyl-1H-pyridine-2-thione
PubChem CID71159912
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name3-amino-4,6-diphenyl-1H-pyridine-2-thione
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C17H14N2S/c18-16-14(12-7-3-1-4-8-12)11-15(19-17(16)20)13-9-5-2-6-10-13/h1-11H,18H2,(H,19,20)
InChIKeyOWWDUUULDAOSKG-UHFFFAOYSA-N
XLogP4.66
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-diphenyl-1H-pyridine-2-thione?
The IUPAC name of 3-amino-4,6-diphenyl-1H-pyridine-2-thione (CID 71159912) is 3-amino-4,6-diphenyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-amino-4,6-diphenyl-1H-pyridine-2-thione?
The canonical SMILES for 3-amino-4,6-diphenyl-1H-pyridine-2-thione is Nc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of 3-amino-4,6-diphenyl-1H-pyridine-2-thione?
The InChIKey is OWWDUUULDAOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c18-16-14(12-7-3-1-4-8-12)11-15(19-17(16)20)13-9-5-2-6-10-13/h1-11H,18H2,(H,19,20).
What are the key properties of 3-amino-4,6-diphenyl-1H-pyridine-2-thione?
3-amino-4,6-diphenyl-1H-pyridine-2-thione has a molecular weight of 278.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-diphenyl-1H-pyridine-2-thione is sourced from PubChem (CID 71159912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).