(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3OS — CID 6887833

IUPAC(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=N\N=C/c1cccc2ccccc12
InChIInChI=1S/C22H19N3OS/c1-16-7-2-3-9-19(16)14-25-21(26)15-27-22(25)24-23-13-18-11-6-10-17-8-4-5-12-20(17)18/h2-13H,14-15H2,1H3/b23-13-,24-22-
InChIKeyGREONZALUIRYEX-ORNKEOETSA-N
MW373.48 g/mol
LogP4.61
Rot. Bonds4

About (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6887833) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6887833
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=N\N=C/c1cccc2ccccc12
InChIInChI=1S/C22H19N3OS/c1-16-7-2-3-9-19(16)14-25-21(26)15-27-22(25)24-23-13-18-11-6-10-17-8-4-5-12-20(17)18/h2-13H,14-15H2,1H3/b23-13-,24-22-
InChIKeyGREONZALUIRYEX-ORNKEOETSA-N
XLogP4.61
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-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 (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6887833) is (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccccc1CN1C(=O)CS/C1=N\N=C/c1cccc2ccccc12.
What is the InChIKey of (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is GREONZALUIRYEX-ORNKEOETSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16-7-2-3-9-19(16)14-25-21(26)15-27-22(25)24-23-13-18-11-6-10-17-8-4-5-12-20(17)18/h2-13H,14-15H2,1H3/b23-13-,24-22-.
What are the key properties of (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6887833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).