2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide

C15H13FN2OS — CID 82151350

IUPAC2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide
SMILESNC(=S)Cn1ccc(/C=C/c2ccc(F)cc2)cc1=O
InChIInChI=1S/C15H13FN2OS/c16-13-5-3-11(4-6-13)1-2-12-7-8-18(10-14(17)20)15(19)9-12/h1-9H,10H2,(H2,17,20)/b2-1+
InChIKeyOXRKEOSKJRPZSQ-OWOJBTEDSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide (PubChem CID 82151350) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide
PubChem CID82151350
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide
SMILESNC(=S)Cn1ccc(/C=C/c2ccc(F)cc2)cc1=O
InChIInChI=1S/C15H13FN2OS/c16-13-5-3-11(4-6-13)1-2-12-7-8-18(10-14(17)20)15(19)9-12/h1-9H,10H2,(H2,17,20)/b2-1+
InChIKeyOXRKEOSKJRPZSQ-OWOJBTEDSA-N
XLogP2.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanethioamide
CID 82151233
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
(E)-N-(3-amino-3-sulfanylidenepropyl)-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 82104131
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
CID 82143768
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
CID 82151240
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 94746444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide?
The IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide (CID 82151350) is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide.
What is the SMILES notation for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide?
The canonical SMILES for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide is NC(=S)Cn1ccc(/C=C/c2ccc(F)cc2)cc1=O.
What is the InChIKey of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide?
The InChIKey is OXRKEOSKJRPZSQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-13-5-3-11(4-6-13)1-2-12-7-8-18(10-14(17)20)15(19)9-12/h1-9H,10H2,(H2,17,20)/b2-1+.
What are the key properties of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide?
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide has a molecular weight of 288.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide is sourced from PubChem (CID 82151350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).