(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one

C23H22FN3O2S — CID 6137823

About (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 6137823) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
• PubChem CID: 6137823
• Molecular Formula: C23H22FN3O2S
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.14
• IUPAC Name: (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
• SMILES: C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1
• InChI: InChI=1S/C23H22FN3O2S/c1-2-15-29-18-9-7-17(8-10-18)16-21-22(28)25-23(30-21)27-13-11-26(12-14-27)20-6-4-3-5-19(20)24/h2-10,16H,1,11-15H2/b21-16-
• InChIKey: ZYUCPIWDQPSVDI-PGMHBOJBSA-N
• XLogP: 4.18
• TPSA: 45.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one?

The IUPAC name of (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 6137823) is (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one.

What is the SMILES notation for (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one?

The canonical SMILES for (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one is C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1.

What is the InChIKey of (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one?

The InChIKey is ZYUCPIWDQPSVDI-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-2-15-29-18-9-7-17(8-10-18)16-21-22(28)25-23(30-21)27-13-11-26(12-14-27)20-6-4-3-5-19(20)24/h2-10,16H,1,11-15H2/b21-16-.

What are the key properties of (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one?

(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 423.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 6137823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).