6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one

C22H17FN2OS — CID 2963673

IUPAC6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1CC(c2cccc(F)c2)SC(N(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H17FN2OS/c23-17-9-7-8-16(14-17)20-15-21(26)24-22(27-20)25(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,20H,15H2
InChIKeyWNEMCPIYTGLFFT-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.72
Rot. Bonds3

About 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one

6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 2963673) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
PubChem CID2963673
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1CC(c2cccc(F)c2)SC(N(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H17FN2OS/c23-17-9-7-8-16(14-17)20-15-21(26)24-22(27-20)25(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,20H,15H2
InChIKeyWNEMCPIYTGLFFT-UHFFFAOYSA-N
XLogP5.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one (CID 2963673) is 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one is O=C1CC(c2cccc(F)c2)SC(N(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is WNEMCPIYTGLFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c23-17-9-7-8-16(14-17)20-15-21(26)24-22(27-20)25(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,20H,15H2.
What are the key properties of 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 376.46 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 2963673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).