3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one

C30H27N5O2S — CID 135486354

About 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one

3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one (PubChem CID 135486354) has the molecular formula C30H27N5O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
• PubChem CID: 135486354
• Molecular Formula: C30H27N5O2S
• Molecular Weight: 521.65 g/mol
• Exact Mass: 521.19
• IUPAC Name: 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one
• SMILES: CN1C(=c2sc(=C3C(=O)N(c4ccccc4)N/C3=N\c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21
• InChI: InChI=1S/C30H27N5O2S/c1-30(2)21-17-11-12-18-22(21)33(3)25(30)24-28(37)34(4)29(38-24)23-26(31-19-13-7-5-8-14-19)32-35(27(23)36)20-15-9-6-10-16-20/h5-18H,1-4H3,(H,31,32)
• InChIKey: NXFPIPUJFMOXNJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 69.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.65
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?

The IUPAC name of 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one (CID 135486354) is 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one is CN1C(=c2sc(=C3C(=O)N(c4ccccc4)N/C3=N\c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21.

What is the InChIKey of 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?

The InChIKey is NXFPIPUJFMOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2S/c1-30(2)21-17-11-12-18-22(21)33(3)25(30)24-28(37)34(4)29(38-24)23-26(31-19-13-7-5-8-14-19)32-35(27(23)36)20-15-9-6-10-16-20/h5-18H,1-4H3,(H,31,32).

What are the key properties of 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one?

3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 521.65 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-(5-oxo-1-phenyl-3-phenyliminopyrazolidin-4-ylidene)-5-(1,3,3-trimethylindol-2-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).