(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H15N3OS2 — CID 118713909

IUPAC(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H15N3OS2/c1-12(14-8-5-9-21-14)17-18-16-19(15(20)11-22-16)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3/b17-12-,18-16+
InChIKeySEMRHGZJWHVVTB-NGGGXSTLSA-N
MW329.45 g/mol
LogP3.60
Rot. Bonds4

About (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713909) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713909
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H15N3OS2/c1-12(14-8-5-9-21-14)17-18-16-19(15(20)11-22-16)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3/b17-12-,18-16+
InChIKeySEMRHGZJWHVVTB-NGGGXSTLSA-N
XLogP3.60
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-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 (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 118713909) is (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1cccs1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SEMRHGZJWHVVTB-NGGGXSTLSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-12(14-8-5-9-21-14)17-18-16-19(15(20)11-22-16)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3/b17-12-,18-16+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 329.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).