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

C22H17Cl2N3O3S — CID 135666041

IUPAC(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2cc(Cl)ccc2Cl)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-7-8-18(24)15(10-16)11-20-21(29)27(13-17-5-3-9-30-17)22(31-20)26-25-12-14-4-1-2-6-19(14)28/h1-10,12,20,28H,11,13H2/b25-12+,26-22-
InChIKeyJYGCNCZIOGAVQM-DMVPFBPMSA-N
MW474.37 g/mol
LogP5.37
Rot. Bonds6

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

(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135666041) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135666041
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2cc(Cl)ccc2Cl)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-7-8-18(24)15(10-16)11-20-21(29)27(13-17-5-3-9-30-17)22(31-20)26-25-12-14-4-1-2-6-19(14)28/h1-10,12,20,28H,11,13H2/b25-12+,26-22-
InChIKeyJYGCNCZIOGAVQM-DMVPFBPMSA-N
XLogP5.37
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.37
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135666041) is (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1C(Cc2cc(Cl)ccc2Cl)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1.
What is the InChIKey of (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JYGCNCZIOGAVQM-DMVPFBPMSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c23-16-7-8-18(24)15(10-16)11-20-21(29)27(13-17-5-3-9-30-17)22(31-20)26-25-12-14-4-1-2-6-19(14)28/h1-10,12,20,28H,11,13H2/b25-12+,26-22-.
What are the key properties of (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 474.37 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135666041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).