(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H10N4OS — CID 137014978

IUPAC(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\C2C=Nc3ccccc32)N1
InChIInChI=1S/C12H10N4OS/c17-11-7-18-12(15-11)16-14-6-8-5-13-10-4-2-1-3-9(8)10/h1-6,8H,7H2,(H,15,16,17)/b14-6-
InChIKeyLPGSMULPQCPMAP-NSIKDUERSA-N
MW258.31 g/mol
LogP1.69
Rot. Bonds2

About (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137014978) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137014978
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\C2C=Nc3ccccc32)N1
InChIInChI=1S/C12H10N4OS/c17-11-7-18-12(15-11)16-14-6-8-5-13-10-4-2-1-3-9(8)10/h1-6,8H,7H2,(H,15,16,17)/b14-6-
InChIKeyLPGSMULPQCPMAP-NSIKDUERSA-N
XLogP1.69
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.69
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)-2-[(Z)-3H-indol-3-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 (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137014978) is (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\C2C=Nc3ccccc32)N1.
What is the InChIKey of (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LPGSMULPQCPMAP-NSIKDUERSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-11-7-18-12(15-11)16-14-6-8-5-13-10-4-2-1-3-9(8)10/h1-6,8H,7H2,(H,15,16,17)/b14-6-.
What are the key properties of (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 258.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-3H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137014978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).