2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide

C28H22Cl2N6O4S2 — CID 136715850

About 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide

2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide (PubChem CID 136715850) has the molecular formula C28H22Cl2N6O4S2 and a molecular weight of 641.56 g/mol. Its IUPAC name is 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
• PubChem CID: 136715850
• Molecular Formula: C28H22Cl2N6O4S2
• Molecular Weight: 641.56 g/mol
• Exact Mass: 640.05
• IUPAC Name: 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
• SMILES: O=C(C[C@@H]1S/C(=N\c2ccccc2Cl)NC1=O)Nc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3Cl)NC2=O)c1
• InChI: InChI=1S/C28H22Cl2N6O4S2/c29-17-8-1-3-10-19(17)33-27-35-25(39)21(41-27)13-23(37)31-15-6-5-7-16(12-15)32-24(38)14-22-26(40)36-28(42-22)34-20-11-4-2-9-18(20)30/h1-12,21-22H,13-14H2,(H,31,37)(H,32,38)(H,33,35,39)(H,34,36,40)/t21-,22+
• InChIKey: HIVFVAHXEJTTNA-SZPZYZBQSA-N
• XLogP: 5.49
• TPSA: 141.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.56
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?

The IUPAC name of 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide (CID 136715850) is 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide.

What is the SMILES notation for 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?

The canonical SMILES for 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2Cl)NC1=O)Nc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3Cl)NC2=O)c1.

What is the InChIKey of 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?

The InChIKey is HIVFVAHXEJTTNA-SZPZYZBQSA-N. The full InChI is InChI=1S/C28H22Cl2N6O4S2/c29-17-8-1-3-10-19(17)33-27-35-25(39)21(41-27)13-23(37)31-15-6-5-7-16(12-15)32-24(38)14-22-26(40)36-28(42-22)34-20-11-4-2-9-18(20)30/h1-12,21-22H,13-14H2,(H,31,37)(H,32,38)(H,33,35,39)(H,34,36,40)/t21-,22+.

What are the key properties of 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?

2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide has a molecular weight of 641.56 g/mol, XLogP of 5.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 136715850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).