(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C23H23N3OS2 — CID 6448369

IUPAC(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23N3OS2/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(28)26(22)18-24-14-16-25(17-15-24)20-11-5-2-6-12-20/h1-13H,14-18H2/b10-7+,21-13+
InChIKeyWUYGXHJGRROMTN-FPQBULDBSA-N
MW421.59 g/mol
LogP4.22
Rot. Bonds5

About (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6448369) has the molecular formula C23H23N3OS2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6448369
Molecular FormulaC23H23N3OS2
Molecular Weight421.59 g/mol
Exact Mass421.13
IUPAC Name(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23N3OS2/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(28)26(22)18-24-14-16-25(17-15-24)20-11-5-2-6-12-20/h1-13H,14-18H2/b10-7+,21-13+
InChIKeyWUYGXHJGRROMTN-FPQBULDBSA-N
XLogP4.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-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 (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6448369) is (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WUYGXHJGRROMTN-FPQBULDBSA-N. The full InChI is InChI=1S/C23H23N3OS2/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(28)26(22)18-24-14-16-25(17-15-24)20-11-5-2-6-12-20/h1-13H,14-18H2/b10-7+,21-13+.
What are the key properties of (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 421.59 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).