2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

C17H12Cl3N3OS — CID 135475002

IUPAC2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2Cl)SC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3OS/c18-12-6-2-1-4-11(12)9-21-23-17-22-16(24)14(25-17)8-10-5-3-7-13(19)15(10)20/h1-7,9,14H,8H2,(H,22,23,24)
InChIKeyVYSWJJRXTQIVJP-UHFFFAOYSA-N
MW412.73 g/mol
LogP4.81
Rot. Bonds4

About 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135475002) has the molecular formula C17H12Cl3N3OS and a molecular weight of 412.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135475002
Molecular FormulaC17H12Cl3N3OS
Molecular Weight412.73 g/mol
Exact Mass410.98
IUPAC Name2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2Cl)SC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3OS/c18-12-6-2-1-4-11(12)9-21-23-17-22-16(24)14(25-17)8-10-5-3-7-13(19)15(10)20/h1-7,9,14H,8H2,(H,22,23,24)
InChIKeyVYSWJJRXTQIVJP-UHFFFAOYSA-N
XLogP4.81
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.73
LogP ≤ 54.81
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-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878945
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
5-benzyl-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135510882
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136843618
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135850176
(2E)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135599453
(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135856667
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135548148
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135475002) is 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccccc2Cl)SC1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is VYSWJJRXTQIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3OS/c18-12-6-2-1-4-11(12)9-21-23-17-22-16(24)14(25-17)8-10-5-3-7-13(19)15(10)20/h1-7,9,14H,8H2,(H,22,23,24).
What are the key properties of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 412.73 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135475002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).