1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one

C17H14N2OS — CID 139791433

IUPAC1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one
SMILESNn1cc(-c2ccccc2)c(S)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2OS/c18-19-11-14(12-7-3-1-4-8-12)16(21)15(17(19)20)13-9-5-2-6-10-13/h1-11,21H,18H2
InChIKeyMFMWQRAZDPYTFM-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.18
Rot. Bonds2

About 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one

1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one (PubChem CID 139791433) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one
PubChem CID139791433
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one
SMILESNn1cc(-c2ccccc2)c(S)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2OS/c18-19-11-14(12-7-3-1-4-8-12)16(21)15(17(19)20)13-9-5-2-6-10-13/h1-11,21H,18H2
InChIKeyMFMWQRAZDPYTFM-UHFFFAOYSA-N
XLogP3.18
TPSA48.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-sulfanylcycloprop-2-en-1-one
CID 12695478
3,4-diphenylbenzene-1,2-dithiol
CID 22227433
3-phenyl-1,5-diazabicyclo[3.1.1]hept-3-ene-2,6,7-trione
CID 18458600
1,6-diamino-3,5-bis(aminomethyl)-4-phenylpyridin-2-one
CID 170875478
4-amino-6-phenyl-1,2,4-triazin-3-one
CID 19801773
1,3-dimethyl-4-phenylpyridin-2-one
CID 12730435
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
3,4,5-triphenylaniline
CID 123249258
2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 174672389
3-methyl-5-phenyl-1H-pyrimidine-2,4-dione
CID 4204619
4,5-diphenyl-2-propan-2-ylpyridazin-3-one
CID 59302442
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one?
The IUPAC name of 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one (CID 139791433) is 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one is Nn1cc(-c2ccccc2)c(S)c(-c2ccccc2)c1=O.
What is the InChIKey of 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one?
The InChIKey is MFMWQRAZDPYTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c18-19-11-14(12-7-3-1-4-8-12)16(21)15(17(19)20)13-9-5-2-6-10-13/h1-11,21H,18H2.
What are the key properties of 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one?
1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one has a molecular weight of 294.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,5-diphenyl-4-sulfanylpyridin-2-one is sourced from PubChem (CID 139791433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).