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

C22H18N2OS — CID 2945034

IUPAC6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1CC(c2ccccc2)SC(N(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H18N2OS/c25-21-16-20(17-10-4-1-5-11-17)26-22(23-21)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyWIKOYZFVDYYDNM-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.59
Rot. Bonds3

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

6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 2945034) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
PubChem CID2945034
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one
SMILESO=C1CC(c2ccccc2)SC(N(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H18N2OS/c25-21-16-20(17-10-4-1-5-11-17)26-22(23-21)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyWIKOYZFVDYYDNM-UHFFFAOYSA-N
XLogP5.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one (CID 2945034) is 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one is O=C1CC(c2ccccc2)SC(N(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is WIKOYZFVDYYDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-21-16-20(17-10-4-1-5-11-17)26-22(23-21)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2.
What are the key properties of 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one?
6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 358.47 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(N-phenylanilino)-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 2945034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).