(5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C22H19N3O3S3 — CID 135467663

About (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 135467663) has the molecular formula C22H19N3O3S3 and a molecular weight of 469.61 g/mol. Its IUPAC name is (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 135467663
• Molecular Formula: C22H19N3O3S3
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.06
• IUPAC Name: (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: [H]/N=c1\c(=C(/O)OCC)s/c(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)n1-c1ccccc1
• InChI: InChI=1S/C22H19N3O3S3/c1-3-28-21(27)16-18(23)24(14-7-5-4-6-8-14)20(30-16)17-19(26)25(22(29)31-17)15-11-9-13(2)10-12-15/h4-12,23,27H,3H2,1-2H3/b20-17+,21-16-,23-18+
• InChIKey: VZRGMJRWDACLBW-JEIQGFFNSA-N
• XLogP: 3.16
• TPSA: 78.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 135467663) is (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is [H]/N=c1\c(=C(/O)OCC)s/c(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)n1-c1ccccc1.

What is the InChIKey of (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is VZRGMJRWDACLBW-JEIQGFFNSA-N. The full InChI is InChI=1S/C22H19N3O3S3/c1-3-28-21(27)16-18(23)24(14-7-5-4-6-8-14)20(30-16)17-19(26)25(22(29)31-17)15-11-9-13(2)10-12-15/h4-12,23,27H,3H2,1-2H3/b20-17+,21-16-,23-18+.

What are the key properties of (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

(5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 469.61 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 135467663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).