3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one

C19H17N3O4S — CID 71482148

About 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one

3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71482148) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 71482148
• Molecular Formula: C19H17N3O4S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.09
• IUPAC Name: 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
• SMILES: COc1ccc(-c2no[n+]([O-])c2C)cc1N1C(=O)CSC1c1ccccc1
• InChI: InChI=1S/C19H17N3O4S/c1-12-18(20-26-22(12)24)14-8-9-16(25-2)15(10-14)21-17(23)11-27-19(21)13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3
• InChIKey: YGZBCUCPPMKJEA-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 82.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one (CID 71482148) is 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one is COc1ccc(-c2no[n+]([O-])c2C)cc1N1C(=O)CSC1c1ccccc1.

What is the InChIKey of 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?

The InChIKey is YGZBCUCPPMKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-18(20-26-22(12)24)14-8-9-16(25-2)15(10-14)21-17(23)11-27-19(21)13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3.

What are the key properties of 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one?

3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 383.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71482148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).