2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C20H17N5O2S — CID 135852015

IUPAC2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccccc1
InChIInChI=1S/C20H17N5O2S/c26-18(23-14-6-2-1-3-7-14)10-17-19(27)24-20(28-17)25-22-12-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,17,21H,10H2,(H,23,26)(H,24,25,27)/b22-12+/t17-/m0/s1
InChIKeyZSMRUORMQGSPKX-QQZPLFJDSA-N
MW391.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135852015) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135852015
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccccc1
InChIInChI=1S/C20H17N5O2S/c26-18(23-14-6-2-1-3-7-14)10-17-19(27)24-20(28-17)25-22-12-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,17,21H,10H2,(H,23,26)(H,24,25,27)/b22-12+/t17-/m0/s1
InChIKeyZSMRUORMQGSPKX-QQZPLFJDSA-N
XLogP3.12
TPSA98.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
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 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide 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

2-[(2Z,5S)-2-[(Z)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135954566
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135645865
2-[2-(ethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135510892
N-(4-fluorophenyl)-2-[(2E)-4-oxo-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135707105
2-[(2Z,5S)-4-oxo-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136896522
2-[2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135418881
2-[2-(cyclohexylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135974009
2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136829914
(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135707237

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135852015) is 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ZSMRUORMQGSPKX-QQZPLFJDSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-18(23-14-6-2-1-3-7-14)10-17-19(27)24-20(28-17)25-22-12-13-11-21-16-9-5-4-8-15(13)16/h1-9,11-12,17,21H,10H2,(H,23,26)(H,24,25,27)/b22-12+/t17-/m0/s1.
What are the key properties of 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 391.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135852015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).