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

C19H17FN4O4S — CID 71482294

IUPAC2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2no[n+]([O-])c2C)cc1NN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c1-11-18(22-28-24(11)26)13-5-8-16(27-2)15(9-13)21-23-17(25)10-29-19(23)12-3-6-14(20)7-4-12/h3-9,19,21H,10H2,1-2H3
InChIKeyWVNBODHZUYMVBM-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.03
Rot. Bonds5

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

2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one (PubChem CID 71482294) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one
PubChem CID71482294
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2no[n+]([O-])c2C)cc1NN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c1-11-18(22-28-24(11)26)13-5-8-16(27-2)15(9-13)21-23-17(25)10-29-19(23)12-3-6-14(20)7-4-12/h3-9,19,21H,10H2,1-2H3
InChIKeyWVNBODHZUYMVBM-UHFFFAOYSA-N
XLogP3.03
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one (CID 71482294) is 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one is COc1ccc(-c2no[n+]([O-])c2C)cc1NN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one?
The InChIKey is WVNBODHZUYMVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-11-18(22-28-24(11)26)13-5-8-16(27-2)15(9-13)21-23-17(25)10-29-19(23)12-3-6-14(20)7-4-12/h3-9,19,21H,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one has a molecular weight of 416.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)anilino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 71482294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).