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

C12H10N4OS — CID 135628907

IUPAC(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2c[nH]c3ccccc23)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/h1-6,13H,7H2,(H,15,16,17)/b14-6+
InChIKeyKHHBZEAUYOMXLV-MKMNVTDBSA-N
MW258.31 g/mol
LogP1.72
Rot. Bonds2

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

(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135628907) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135628907
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2c[nH]c3ccccc23)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/h1-6,13H,7H2,(H,15,16,17)/b14-6+
InChIKeyKHHBZEAUYOMXLV-MKMNVTDBSA-N
XLogP1.72
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135628907) is (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2c[nH]c3ccccc23)N1.
What is the InChIKey of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KHHBZEAUYOMXLV-MKMNVTDBSA-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/h1-6,13H,7H2,(H,15,16,17)/b14-6+.
What are the key properties of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 258.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135628907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).