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

C21H15Cl2N3OS — CID 135712126

IUPAC(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2cccc3ccccc23)SC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2N3OS/c22-16-9-8-14(18(23)11-16)10-19-20(27)25-21(28-19)26-24-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-9,11-12,19H,10H2,(H,25,26,27)/b24-12+
InChIKeyKQDUPOCLJZSIMF-WYMPLXKRSA-N
MW428.34 g/mol
LogP5.31
Rot. Bonds4

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

(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135712126) has the molecular formula C21H15Cl2N3OS and a molecular weight of 428.34 g/mol. Its IUPAC name is (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135712126
Molecular FormulaC21H15Cl2N3OS
Molecular Weight428.34 g/mol
Exact Mass427.03
IUPAC Name(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2cccc3ccccc23)SC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2N3OS/c22-16-9-8-14(18(23)11-16)10-19-20(27)25-21(28-19)26-24-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-9,11-12,19H,10H2,(H,25,26,27)/b24-12+
InChIKeyKQDUPOCLJZSIMF-WYMPLXKRSA-N
XLogP5.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.34
LogP ≤ 55.31
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,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780022
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
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
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(2E,5S)-5-[(2,5-dichlorophenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852036
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878945
(2E)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478270
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711986
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135712126) is (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2cccc3ccccc23)SC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KQDUPOCLJZSIMF-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H15Cl2N3OS/c22-16-9-8-14(18(23)11-16)10-19-20(27)25-21(28-19)26-24-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-9,11-12,19H,10H2,(H,25,26,27)/b24-12+.
What are the key properties of (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 428.34 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).