(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H10N4O2S — CID 135886580

IUPAC(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cc3ccccc3[nH]c2=O)N1
InChIInChI=1S/C13H10N4O2S/c18-11-7-20-13(16-11)17-14-6-9-5-8-3-1-2-4-10(8)15-12(9)19/h1-6H,7H2,(H,15,19)(H,16,17,18)/b14-6+
InChIKeyGUGJTLNDPRJKNY-MKMNVTDBSA-N
MW286.32 g/mol
LogP1.08
Rot. Bonds2

About (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135886580) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135886580
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cc3ccccc3[nH]c2=O)N1
InChIInChI=1S/C13H10N4O2S/c18-11-7-20-13(16-11)17-14-6-9-5-8-3-1-2-4-10(8)15-12(9)19/h1-6H,7H2,(H,15,19)(H,16,17,18)/b14-6+
InChIKeyGUGJTLNDPRJKNY-MKMNVTDBSA-N
XLogP1.08
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-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-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135886580) is (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2cc3ccccc3[nH]c2=O)N1.
What is the InChIKey of (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is GUGJTLNDPRJKNY-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-11-7-20-13(16-11)17-14-6-9-5-8-3-1-2-4-10(8)15-12(9)19/h1-6H,7H2,(H,15,19)(H,16,17,18)/b14-6+.
What are the key properties of (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 286.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135886580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).