N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H20FN3O4S — CID 16593456

About N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16593456) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16593456
• Molecular Formula: C24H20FN3O4S
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.12
• IUPAC Name: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O
• InChI: InChI=1S/C24H20FN3O4S/c25-18-8-6-17(7-9-18)19-15-27-22(32-19)11-10-21(29)26-12-13-28-23(30)20(33-24(28)31)14-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,26,29)/b20-14-
• InChIKey: IHYZMKHIIQTNDU-ZHZULCJRSA-N
• XLogP: 4.27
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16593456) is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O.

What is the InChIKey of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is IHYZMKHIIQTNDU-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c25-18-8-6-17(7-9-18)19-15-27-22(32-19)11-10-21(29)26-12-13-28-23(30)20(33-24(28)31)14-16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,26,29)/b20-14-.

What are the key properties of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 465.51 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16593456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).