N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide

C24H20BrN3O2S — CID 135424243

About N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide

N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135424243) has the molecular formula C24H20BrN3O2S and a molecular weight of 494.41 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide
• PubChem CID: 135424243
• Molecular Formula: C24H20BrN3O2S
• Molecular Weight: 494.41 g/mol
• Exact Mass: 493.05
• IUPAC Name: N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide
• SMILES: CC(=C/N=C1\NC(=O)CC(C(=O)Nc2ccc(Br)cc2)S1)c1ccc2ccccc2c1
• InChI: InChI=1S/C24H20BrN3O2S/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)14-26-24-28-22(29)13-21(31-24)23(30)27-20-10-8-19(25)9-11-20/h2-12,14,21H,13H2,1H3,(H,27,30)(H,26,28,29)
• InChIKey: SFRLGPXRPBIXCS-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.41
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide?

The IUPAC name of N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135424243) is N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide is CC(=C/N=C1\NC(=O)CC(C(=O)Nc2ccc(Br)cc2)S1)c1ccc2ccccc2c1.

What is the InChIKey of N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide?

The InChIKey is SFRLGPXRPBIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2S/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)14-26-24-28-22(29)13-21(31-24)23(30)27-20-10-8-19(25)9-11-20/h2-12,14,21H,13H2,1H3,(H,27,30)(H,26,28,29).

What are the key properties of N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide?

N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 494.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-2-(2-naphthalen-2-ylprop-1-enylimino)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135424243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).