(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

C27H25N3O2S3 — CID 5291722

About (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (PubChem CID 5291722) has the molecular formula C27H25N3O2S3 and a molecular weight of 519.72 g/mol. Its IUPAC name is (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• PubChem CID: 5291722
• Molecular Formula: C27H25N3O2S3
• Molecular Weight: 519.72 g/mol
• Exact Mass: 519.11
• IUPAC Name: (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• SMILES: CCCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2-c2ccc(C)cc2)SC1=S
• InChI: InChI=1S/C27H25N3O2S3/c1-4-16-29-24(31)23(35-27(29)33)26-30(19-13-10-17(3)11-14-19)25(32)22(34-26)21-15-12-18-8-6-7-9-20(18)28(21)5-2/h6-15H,4-5,16H2,1-3H3/b22-21+,26-23-
• InChIKey: RMDKBBWZOGSBSZ-LTTYQNBASA-N
• XLogP: 4.25
• TPSA: 45.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.72
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (CID 5291722) is (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is CCCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2-c2ccc(C)cc2)SC1=S.

What is the InChIKey of (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The InChIKey is RMDKBBWZOGSBSZ-LTTYQNBASA-N. The full InChI is InChI=1S/C27H25N3O2S3/c1-4-16-29-24(31)23(35-27(29)33)26-30(19-13-10-17(3)11-14-19)25(32)22(34-26)21-15-12-18-8-6-7-9-20(18)28(21)5-2/h6-15H,4-5,16H2,1-3H3/b22-21+,26-23-.

What are the key properties of (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

(2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 519.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5E)-5-(1-ethylquinolin-2-ylidene)-3-(4-methylphenyl)-2-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5291722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).