2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate

C19H22N3O3S- — CID 172943383

About 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate

2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate (PubChem CID 172943383) has the molecular formula C19H22N3O3S- and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

• Compound Name: 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate
• PubChem CID: 172943383
• Molecular Formula: C19H22N3O3S-
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.14
• IUPAC Name: 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate
• SMILES: O=C([O-])CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O
• InChI: InChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/p-1/b21-19-
• InChIKey: SUNHNCOUVBVRPZ-VZCXRCSSSA-M
• XLogP: 2.73
• TPSA: 85.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate?

The IUPAC name of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate (CID 172943383) is 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate.

What is the SMILES notation for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate?

The canonical SMILES for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate is O=C([O-])CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O.

What is the InChIKey of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate?

The InChIKey is SUNHNCOUVBVRPZ-VZCXRCSSSA-M. The full InChI is InChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/p-1/b21-19-.

What are the key properties of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate?

2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate has a molecular weight of 372.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 172943383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).