(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one

C17H10Br2ClN3OS — CID 171980641

IUPAC(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2Cl)S/C1=C\c1cc(Br)ccc1Br
InChIInChI=1S/C17H10Br2ClN3OS/c18-12-5-6-13(19)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-14(10)20/h1-9H,(H,22,23,24)/b15-8-,21-9+
InChIKeyBRXJRSVXWQPCMD-CVTXJHAVSA-N
MW499.62 g/mol
LogP5.46
Rot. Bonds3

About (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 171980641) has the molecular formula C17H10Br2ClN3OS and a molecular weight of 499.62 g/mol. Its IUPAC name is (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID171980641
Molecular FormulaC17H10Br2ClN3OS
Molecular Weight499.62 g/mol
Exact Mass496.86
IUPAC Name(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2Cl)S/C1=C\c1cc(Br)ccc1Br
InChIInChI=1S/C17H10Br2ClN3OS/c18-12-5-6-13(19)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-14(10)20/h1-9H,(H,22,23,24)/b15-8-,21-9+
InChIKeyBRXJRSVXWQPCMD-CVTXJHAVSA-N
XLogP5.46
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136914336
(2Z,5Z)-5-[(2-chlorophenyl)methylidene]-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887753
(2E)-5-[(4-bromo-3-nitrophenyl)methylidene]-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135759606
(2Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135683601
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135687818
(2E,5E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135824799
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135460162
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137063084
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135448786

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one (CID 171980641) is (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccccc2Cl)S/C1=C\c1cc(Br)ccc1Br.
What is the InChIKey of (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BRXJRSVXWQPCMD-CVTXJHAVSA-N. The full InChI is InChI=1S/C17H10Br2ClN3OS/c18-12-5-6-13(19)11(7-12)8-15-16(24)22-17(25-15)23-21-9-10-3-1-2-4-14(10)20/h1-9H,(H,22,23,24)/b15-8-,21-9+.
What are the key properties of (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 499.62 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171980641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).