(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one

C20H15ClN4OS2 — CID 18846105

About (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18846105) has the molecular formula C20H15ClN4OS2 and a molecular weight of 426.95 g/mol. Its IUPAC name is (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 18846105
• Molecular Formula: C20H15ClN4OS2
• Molecular Weight: 426.95 g/mol
• Exact Mass: 426.04
• IUPAC Name: (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: C/C(=C1/S/C(=N/c2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C20H15ClN4OS2/c1-12(14-8-10-15(21)11-9-14)17-18(26)25(16-6-4-3-5-7-16)20(28-17)22-19-24-23-13(2)27-19/h3-11H,1-2H3/b17-12-,22-20+
• InChIKey: UGAFVAMNMNRMIN-RORPNGENSA-N
• XLogP: 5.70
• TPSA: 58.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.95
LogP ≤ 5	5.70
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'}

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one (CID 18846105) is (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N/c2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1.

What is the InChIKey of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is UGAFVAMNMNRMIN-RORPNGENSA-N. The full InChI is InChI=1S/C20H15ClN4OS2/c1-12(14-8-10-15(21)11-9-14)17-18(26)25(16-6-4-3-5-7-16)20(28-17)22-19-24-23-13(2)27-19/h3-11H,1-2H3/b17-12-,22-20+.

What are the key properties of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?

(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 426.95 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18846105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).