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

C17H12Cl3N3OS — CID 135851513

IUPAC(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccccc2Cl)S[C@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl3N3OS/c18-12-5-6-14(20)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-13(10)19/h1-7,9,15H,8H2,(H,22,23,24)/b21-9-/t15-/m0/s1
InChIKeyPUDREYXQWCINLU-HBYKXQRASA-N
MW412.73 g/mol
LogP4.81
Rot. Bonds4

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

(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135851513) has the molecular formula C17H12Cl3N3OS and a molecular weight of 412.73 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135851513
Molecular FormulaC17H12Cl3N3OS
Molecular Weight412.73 g/mol
Exact Mass410.98
IUPAC Name(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccccc2Cl)S[C@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl3N3OS/c18-12-5-6-14(20)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-13(10)19/h1-7,9,15H,8H2,(H,22,23,24)/b21-9-/t15-/m0/s1
InChIKeyPUDREYXQWCINLU-HBYKXQRASA-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

5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
(2E,5S)-5-[(2,5-dichlorophenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852036
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711986
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135782621
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711984
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056
5-benzyl-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135510882
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135804785
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135645367
(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711989

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135851513) is (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C/c2ccccc2Cl)S[C@H]1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PUDREYXQWCINLU-HBYKXQRASA-N. The full InChI is InChI=1S/C17H12Cl3N3OS/c18-12-5-6-14(20)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-13(10)19/h1-7,9,15H,8H2,(H,22,23,24)/b21-9-/t15-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-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 (2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135851513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).