N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

C19H16Cl3N3O2S — CID 3326916

About N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3326916) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
• PubChem CID: 3326916
• Molecular Formula: C19H16Cl3N3O2S
• Molecular Weight: 456.78 g/mol
• Exact Mass: 455.00
• IUPAC Name: N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
• SMILES: CCN1C(=O)CC(C(=O)Nc2ccccc2Cl)S/C1=N\c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C19H16Cl3N3O2S/c1-2-25-17(26)10-16(18(27)24-15-6-4-3-5-14(15)22)28-19(25)23-13-8-11(20)7-12(21)9-13/h3-9,16H,2,10H2,1H3,(H,24,27)/b23-19-
• InChIKey: IGHOGXWZLHWPMF-NMWGTECJSA-N
• XLogP: 5.63
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.78
LogP ≤ 5	5.63
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 N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?

The IUPAC name of N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3326916) is N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?

The canonical SMILES for N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is CCN1C(=O)CC(C(=O)Nc2ccccc2Cl)S/C1=N\c1cc(Cl)cc(Cl)c1.

What is the InChIKey of N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?

The InChIKey is IGHOGXWZLHWPMF-NMWGTECJSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c1-2-25-17(26)10-16(18(27)24-15-6-4-3-5-14(15)22)28-19(25)23-13-8-11(20)7-12(21)9-13/h3-9,16H,2,10H2,1H3,(H,24,27)/b23-19-.

What are the key properties of N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?

N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 456.78 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3326916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).