(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3OS — CID 135780022

IUPAC(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C[C@@H]1S/C(=N/N=C\c2cccc3ccccc23)NC1=O
InChIInChI=1S/C22H19N3OS/c1-15-7-2-3-9-17(15)13-20-21(26)24-22(27-20)25-23-14-18-11-6-10-16-8-4-5-12-19(16)18/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-/t20-/m0/s1
InChIKeyKYNXUEYFIYCOPV-FVHJOOJJSA-N
MW373.48 g/mol
LogP4.31
Rot. Bonds4

About (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135780022) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135780022
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C[C@@H]1S/C(=N/N=C\c2cccc3ccccc23)NC1=O
InChIInChI=1S/C22H19N3OS/c1-15-7-2-3-9-17(15)13-20-21(26)24-22(27-20)25-23-14-18-11-6-10-16-8-4-5-12-19(16)18/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-/t20-/m0/s1
InChIKeyKYNXUEYFIYCOPV-FVHJOOJJSA-N
XLogP4.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
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

(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856621
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
2-(naphthalen-1-ylmethylidenehydrazinylidene)-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135467284
(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135851686
(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712126
(2E)-5-[(2-methylphenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711927
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135856692
(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
(2E,5S)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135577550
2-[(2-methylphenyl)methylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135513498
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135554894

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135780022) is (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C[C@@H]1S/C(=N/N=C\c2cccc3ccccc23)NC1=O.
What is the InChIKey of (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KYNXUEYFIYCOPV-FVHJOOJJSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-7-2-3-9-17(15)13-20-21(26)24-22(27-20)25-23-14-18-11-6-10-16-8-4-5-12-19(16)18/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-/t20-/m0/s1.
What are the key properties of (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135780022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).