(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H13Cl2N3O2S — CID 135878945

IUPAC(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccccc2O)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-6-3-5-10(15(12)19)8-14-16(24)21-17(25-14)22-20-9-11-4-1-2-7-13(11)23/h1-7,9,14,23H,8H2,(H,21,22,24)/b20-9-/t14-/m0/s1
InChIKeyYEXLYAOBQPXVBP-ZFOCZIKRSA-N
MW394.28 g/mol
LogP3.86
Rot. Bonds4

About (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135878945) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135878945
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccccc2O)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-6-3-5-10(15(12)19)8-14-16(24)21-17(25-14)22-20-9-11-4-1-2-7-13(11)23/h1-7,9,14,23H,8H2,(H,21,22,24)/b20-9-/t14-/m0/s1
InChIKeyYEXLYAOBQPXVBP-ZFOCZIKRSA-N
XLogP3.86
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851532
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851357
(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135426189
(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136843618
(2E,5R)-5-benzyl-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851356
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135850176
(2E)-5-[(2,3-dichlorophenyl)methyl]-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135527385
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
(5R)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231531
(5S)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231530

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135878945) is (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C/c2ccccc2O)S[C@H]1Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YEXLYAOBQPXVBP-ZFOCZIKRSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-12-6-3-5-10(15(12)19)8-14-16(24)21-17(25-14)22-20-9-11-4-1-2-7-13(11)23/h1-7,9,14,23H,8H2,(H,21,22,24)/b20-9-/t14-/m0/s1.
What are the key properties of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 394.28 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135878945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).