2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C19H16Cl3N3O2S — CID 3352123

About 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3352123) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
• PubChem CID: 3352123
• Molecular Formula: C19H16Cl3N3O2S
• Molecular Weight: 456.78 g/mol
• Exact Mass: 455.00
• IUPAC Name: 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
• SMILES: Cc1ccc(/N=C2\SC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1Cl
• InChI: InChI=1S/C19H16Cl3N3O2S/c1-10-3-4-12(7-14(10)21)24-19-25(2)17(26)9-16(28-19)18(27)23-11-5-6-13(20)15(22)8-11/h3-8,16H,9H2,1-2H3,(H,23,27)/b24-19-
• InChIKey: ZDTYQACEJHFEOD-CLCOLTQESA-N
• XLogP: 5.55
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.78
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
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 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?

The IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3352123) is 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

What is the SMILES notation for 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?

The canonical SMILES for 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is Cc1ccc(/N=C2\SC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1Cl.

What is the InChIKey of 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?

The InChIKey is ZDTYQACEJHFEOD-CLCOLTQESA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c1-10-3-4-12(7-14(10)21)24-19-25(2)17(26)9-16(28-19)18(27)23-11-5-6-13(20)15(22)8-11/h3-8,16H,9H2,1-2H3,(H,23,27)/b24-19-.

What are the key properties of 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?

2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 456.78 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3352123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).