(5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C23H29N5O4S — CID 71656539

About (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 71656539) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 71656539
• Molecular Formula: C23H29N5O4S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.19
• IUPAC Name: (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: CC(C)c1noc(N2CCC(N(C)CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)CC2)n1
• InChI: InChI=1S/C23H29N5O4S/c1-15(2)20-24-22(32-26-20)28-10-8-17(9-11-28)27(3)12-13-31-18-6-4-16(5-7-18)14-19-21(29)25-23(30)33-19/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29,30)/b19-14-
• InChIKey: DCXLKKWIUCOUAC-RGEXLXHISA-N
• XLogP: 3.50
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 71656539) is (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CC(C)c1noc(N2CCC(N(C)CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)CC2)n1.

What is the InChIKey of (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is DCXLKKWIUCOUAC-RGEXLXHISA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-15(2)20-24-22(32-26-20)28-10-8-17(9-11-28)27(3)12-13-31-18-6-4-16(5-7-18)14-19-21(29)25-23(30)33-19/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29,30)/b19-14-.

What are the key properties of (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 471.58 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71656539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).