5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one

C24H21Cl2N3O2S — CID 135487128

About 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135487128) has the molecular formula C24H21Cl2N3O2S and a molecular weight of 486.42 g/mol. Its IUPAC name is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
• PubChem CID: 135487128
• Molecular Formula: C24H21Cl2N3O2S
• Molecular Weight: 486.42 g/mol
• Exact Mass: 485.07
• IUPAC Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
• SMILES: CCN(CC)c1ccc(/N=C2/NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1
• InChI: InChI=1S/C24H21Cl2N3O2S/c1-3-29(4-2)17-8-6-16(7-9-17)27-24-28-23(30)22(32-24)14-18-10-12-21(31-18)19-13-15(25)5-11-20(19)26/h5-14H,3-4H2,1-2H3,(H,27,28,30)
• InChIKey: NNAUDHYKMUYEAW-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 57.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.42
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'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-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one (CID 135487128) is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one.

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

The canonical SMILES for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/N=C2/NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1.

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

The InChIKey is NNAUDHYKMUYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2S/c1-3-29(4-2)17-8-6-16(7-9-17)27-24-28-23(30)22(32-24)14-18-10-12-21(31-18)19-13-15(25)5-11-20(19)26/h5-14H,3-4H2,1-2H3,(H,27,28,30).

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

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 486.42 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135487128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).