N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H19Cl2N3O2S — CID 40830580

About N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 40830580) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 40830580
• Molecular Formula: C20H19Cl2N3O2S
• Molecular Weight: 436.36 g/mol
• Exact Mass: 435.06
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: Cc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C
• InChI: InChI=1S/C20H19Cl2N3O2S/c1-11-7-8-13(21)9-16(11)24-20-25(3)19(27)17(28-20)10-18(26)23-15-6-4-5-14(22)12(15)2/h4-9,17H,10H2,1-3H3,(H,23,26)/b24-20-/t17-/m0/s1
• InChIKey: PXQBQFHCMZUKTB-DJUDNFEDSA-N
• XLogP: 5.20
• 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	436.36
LogP ≤ 5	5.20
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-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 40830580) is N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C.

What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is PXQBQFHCMZUKTB-DJUDNFEDSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c1-11-7-8-13(21)9-16(11)24-20-25(3)19(27)17(28-20)10-18(26)23-15-6-4-5-14(22)12(15)2/h4-9,17H,10H2,1-3H3,(H,23,26)/b24-20-/t17-/m0/s1.

What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 436.36 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 40830580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).