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

C13H12N4OS — CID 135707237

IUPAC(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C13H12N4OS/c1-8-12(18)16-13(19-8)17-15-7-9-6-14-11-5-3-2-4-10(9)11/h2-8,14H,1H3,(H,16,17,18)/b15-7+
InChIKeyLGVCUHHQXHLJQL-VIZOYTHASA-N
MW272.33 g/mol
LogP2.11
Rot. Bonds2

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

(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135707237) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135707237
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C13H12N4OS/c1-8-12(18)16-13(19-8)17-15-7-9-6-14-11-5-3-2-4-10(9)11/h2-8,14H,1H3,(H,16,17,18)/b15-7+
InChIKeyLGVCUHHQXHLJQL-VIZOYTHASA-N
XLogP2.11
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.11
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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Related Compounds

(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
(5R)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136747843
2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852015
2-[(2Z,5S)-2-[(Z)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135954566
(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135906029
(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135631927
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135707237) is (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O.
What is the InChIKey of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is LGVCUHHQXHLJQL-VIZOYTHASA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-12(18)16-13(19-8)17-15-7-9-6-14-11-5-3-2-4-10(9)11/h2-8,14H,1H3,(H,16,17,18)/b15-7+.
What are the key properties of (2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.11, 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]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).