(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C20H14ClN3O2S2 — CID 16627798

About (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 16627798) has the molecular formula C20H14ClN3O2S2 and a molecular weight of 427.94 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
• PubChem CID: 16627798
• Molecular Formula: C20H14ClN3O2S2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.02
• IUPAC Name: (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cccs2)S/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccco1
• InChI: InChI=1S/C20H14ClN3O2S2/c21-15-7-5-14(6-8-15)12-22-23-20-24(13-16-3-1-9-26-16)19(25)18(28-20)11-17-4-2-10-27-17/h1-12H,13H2/b18-11-,22-12+,23-20-
• InChIKey: RPMGJBOJZVEQRM-XSQCUTPVSA-N
• XLogP: 5.50
• TPSA: 58.17 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 16627798) is (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccs2)S/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccco1.

What is the InChIKey of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?

The InChIKey is RPMGJBOJZVEQRM-XSQCUTPVSA-N. The full InChI is InChI=1S/C20H14ClN3O2S2/c21-15-7-5-14(6-8-15)12-22-23-20-24(13-16-3-1-9-26-16)19(25)18(28-20)11-17-4-2-10-27-17/h1-12H,13H2/b18-11-,22-12+,23-20-.

What are the key properties of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?

(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 427.94 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).