(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C17H17N3OS2 — CID 135711087

IUPAC(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N/N=Cc3cccs3)NC2=O)cc1C
InChIInChI=1S/C17H17N3OS2/c1-11-5-6-13(8-12(11)2)9-15-16(21)19-17(23-15)20-18-10-14-4-3-7-22-14/h3-8,10,15H,9H2,1-2H3,(H,19,20,21)
InChIKeyHWLXLMVCSAVNPG-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.53
Rot. Bonds4

About (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135711087) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135711087
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N/N=Cc3cccs3)NC2=O)cc1C
InChIInChI=1S/C17H17N3OS2/c1-11-5-6-13(8-12(11)2)9-15-16(21)19-17(23-15)20-18-10-14-4-3-7-22-14/h3-8,10,15H,9H2,1-2H3,(H,19,20,21)
InChIKeyHWLXLMVCSAVNPG-UHFFFAOYSA-N
XLogP3.53
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
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)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-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

Related Compounds

5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137186427
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(5S)-5-[(4-chlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878935
(2Z)-5-benzyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473234
(2E)-5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628357
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921
(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135582050
5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135469001
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135453626
(2E)-2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135723493

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135711087) is (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is Cc1ccc(CC2S/C(=N/N=Cc3cccs3)NC2=O)cc1C.
What is the InChIKey of (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is HWLXLMVCSAVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-11-5-6-13(8-12(11)2)9-15-16(21)19-17(23-15)20-18-10-14-4-3-7-22-14/h3-8,10,15H,9H2,1-2H3,(H,19,20,21).
What are the key properties of (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 343.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135711087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).