5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C17H10ClN3O2S2 — CID 2893104

About 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 2893104) has the molecular formula C17H10ClN3O2S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• PubChem CID: 2893104
• Molecular Formula: C17H10ClN3O2S2
• Molecular Weight: 387.87 g/mol
• Exact Mass: 386.99
• IUPAC Name: 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1
• InChI: InChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9?,19-16-
• InChIKey: JKKGUXPHBANSAW-IQQLKTODSA-N
• XLogP: 5.11
• TPSA: 70.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.87
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 2893104) is 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1.

What is the InChIKey of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The InChIKey is JKKGUXPHBANSAW-IQQLKTODSA-N. The full InChI is InChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9?,19-16-.

What are the key properties of 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 387.87 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2893104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).