2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one

C23H20N2OS — CID 3507548

IUPAC2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(c2ccccc2)C(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-25(19-15-9-4-10-16-19)23-24-22(26)20(17-11-5-2-6-12-17)21(27-23)18-13-7-3-8-14-18/h2-16,20-21H,1H3
InChIKeyFGCZHNAOOBAQQP-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.28
Rot. Bonds3

About 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one

2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one (PubChem CID 3507548) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one
PubChem CID3507548
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one
SMILESCN(C1=NC(=O)C(c2ccccc2)C(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-25(19-15-9-4-10-16-19)23-24-22(26)20(17-11-5-2-6-12-17)21(27-23)18-13-7-3-8-14-18/h2-16,20-21H,1H3
InChIKeyFGCZHNAOOBAQQP-UHFFFAOYSA-N
XLogP5.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one?
The IUPAC name of 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one (CID 3507548) is 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one is CN(C1=NC(=O)C(c2ccccc2)C(c2ccccc2)S1)c1ccccc1.
What is the InChIKey of 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one?
The InChIKey is FGCZHNAOOBAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-25(19-15-9-4-10-16-19)23-24-22(26)20(17-11-5-2-6-12-17)21(27-23)18-13-7-3-8-14-18/h2-16,20-21H,1H3.
What are the key properties of 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one?
2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one has a molecular weight of 372.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-5,6-diphenyl-5,6-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 3507548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).