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

C23H22FN3O2S — CID 6137823

IUPAC(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESC=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1
InChIInChI=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-
InChIKeyZYUCPIWDQPSVDI-PGMHBOJBSA-N
MW423.51 g/mol
LogP4.18
Rot. Bonds5

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 CID6137823
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESC=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1
InChIInChI=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-
InChIKeyZYUCPIWDQPSVDI-PGMHBOJBSA-N
XLogP4.18
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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