(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

C23H23ClN2O2S — CID 84583204

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2
InChIInChI=1S/C23H23ClN2O2S/c1-28-13-3-12-26-22(27)21(14-16-6-9-19(24)10-7-16)29-23(26)25-20-11-8-17-4-2-5-18(17)15-20/h6-11,14-15H,2-5,12-13H2,1H3/b21-14-,25-23+
InChIKeyRYMBHTOVCQXSJZ-SXZIKPQKSA-N
MW426.97 g/mol
LogP5.47
Rot. Bonds6

About (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 84583204) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
PubChem CID84583204
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2
InChIInChI=1S/C23H23ClN2O2S/c1-28-13-3-12-26-22(27)21(14-16-6-9-19(24)10-7-16)29-23(26)25-20-11-8-17-4-2-5-18(17)15-20/h6-11,14-15H,2-5,12-13H2,1H3/b21-14-,25-23+
InChIKeyRYMBHTOVCQXSJZ-SXZIKPQKSA-N
XLogP5.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.97
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-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 (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (CID 84583204) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is RYMBHTOVCQXSJZ-SXZIKPQKSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-28-13-3-12-26-22(27)21(14-16-6-9-19(24)10-7-16)29-23(26)25-20-11-8-17-4-2-5-18(17)15-20/h6-11,14-15H,2-5,12-13H2,1H3/b21-14-,25-23+.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 426.97 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-(2,3-dihydro-1H-inden-5-ylimino)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 84583204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).