(2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C18H12Cl2N4O2S2 — CID 18845811

About (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845811) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
• PubChem CID: 18845811
• Molecular Formula: C18H12Cl2N4O2S2
• Molecular Weight: 451.36 g/mol
• Exact Mass: 449.98
• IUPAC Name: (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
• SMILES: Cc1nnc(/N=C2/S/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)s1
• InChI: InChI=1S/C18H12Cl2N4O2S2/c1-9-22-23-17(27-9)21-18-24(2)16(25)14(28-18)8-10-6-7-13(26-10)15-11(19)4-3-5-12(15)20/h3-8H,1-2H3/b14-8+,21-18+
• InChIKey: NGIDSGXBJKJGLJ-KOCWCRCYSA-N
• XLogP: 5.65
• TPSA: 71.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.36
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845811) is (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is Cc1nnc(/N=C2/S/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)C(=O)N2C)s1.

What is the InChIKey of (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The InChIKey is NGIDSGXBJKJGLJ-KOCWCRCYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c1-9-22-23-17(27-9)21-18-24(2)16(25)14(28-18)8-10-6-7-13(26-10)15-11(19)4-3-5-12(15)20/h3-8H,1-2H3/b14-8+,21-18+.

What are the key properties of (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?

(2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 451.36 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).