(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one

C23H20N2OS — CID 27506150

IUPAC(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one
SMILESCc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-12-14-18(15-13-17)21-16-22(26)25(20-10-6-3-7-11-20)23(27-21)24-19-8-4-2-5-9-19/h2-15,21H,16H2,1H3/b24-23-/t21-/m1/s1
InChIKeyLHKJIWYGIBJJPD-STYZJACHSA-N
MW372.49 g/mol
LogP5.89
Rot. Bonds3

About (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one

(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one (PubChem CID 27506150) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one.

Molecular Properties

Compound Name(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one
PubChem CID27506150
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one
SMILESCc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-12-14-18(15-13-17)21-16-22(26)25(20-10-6-3-7-11-20)23(27-21)24-19-8-4-2-5-9-19/h2-15,21H,16H2,1H3/b24-23-/t21-/m1/s1
InChIKeyLHKJIWYGIBJJPD-STYZJACHSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one?
The IUPAC name of (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one (CID 27506150) is (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one.
What is the SMILES notation for (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one?
The canonical SMILES for (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one is Cc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1.
What is the InChIKey of (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one?
The InChIKey is LHKJIWYGIBJJPD-STYZJACHSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-17-12-14-18(15-13-17)21-16-22(26)25(20-10-6-3-7-11-20)23(27-21)24-19-8-4-2-5-9-19/h2-15,21H,16H2,1H3/b24-23-/t21-/m1/s1.
What are the key properties of (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one?
(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one has a molecular weight of 372.49 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one is sourced from PubChem (CID 27506150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).