2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C33H37ClN6O6S2 — CID 142410209

About 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 142410209) has the molecular formula C33H37ClN6O6S2 and a molecular weight of 713.28 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
• PubChem CID: 142410209
• Molecular Formula: C33H37ClN6O6S2
• Molecular Weight: 713.28 g/mol
• Exact Mass: 712.19
• IUPAC Name: 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
• SMILES: CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)O)S2)cc1CCC(C)(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)O)S2)c(Cl)c1
• InChI: InChI=1S/C33H37ClN6O6S2/c1-32(2,3)22-9-6-18(16-35-39-30-37-28(45)24(47-30)14-26(41)42)12-19(22)10-11-33(4,5)21-8-7-20(23(34)13-21)17-36-40-31-38-29(46)25(48-31)15-27(43)44/h6-9,12-13,16-17,24-25H,10-11,14-15H2,1-5H3,(H,41,42)(H,43,44)(H,37,39,45)(H,38,40,46)/b35-16+,36-17+
• InChIKey: DBHQJRZARCVROZ-WXQKIFEASA-N
• XLogP: 5.34
• TPSA: 182.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.28
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?

The IUPAC name of 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 142410209) is 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

What is the SMILES notation for 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?

The canonical SMILES for 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)O)S2)cc1CCC(C)(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)O)S2)c(Cl)c1.

What is the InChIKey of 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?

The InChIKey is DBHQJRZARCVROZ-WXQKIFEASA-N. The full InChI is InChI=1S/C33H37ClN6O6S2/c1-32(2,3)22-9-6-18(16-35-39-30-37-28(45)24(47-30)14-26(41)42)12-19(22)10-11-33(4,5)21-8-7-20(23(34)13-21)17-36-40-31-38-29(46)25(48-31)15-27(43)44/h6-9,12-13,16-17,24-25H,10-11,14-15H2,1-5H3,(H,41,42)(H,43,44)(H,37,39,45)(H,38,40,46)/b35-16+,36-17+.

What are the key properties of 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid?

2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 713.28 g/mol, XLogP of 5.34, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-2-[(E)-[4-tert-butyl-3-[3-[4-[(E)-[(E)-[5-(carboxymethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-chlorophenyl]-3-methylbutyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 142410209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).