2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C17H10Br2ClN3O2S — CID 136914336

IUPAC2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2Cl)SC1=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C17H10Br2ClN3O2S/c18-11-5-10(15(24)12(19)7-11)6-14-16(25)22-17(26-14)23-21-8-9-3-1-2-4-13(9)20/h1-8,24H,(H,22,23,25)
InChIKeyGUHNGVPLBILIEP-UHFFFAOYSA-N
MW515.61 g/mol
LogP5.16
Rot. Bonds3

About 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136914336) has the molecular formula C17H10Br2ClN3O2S and a molecular weight of 515.61 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID136914336
Molecular FormulaC17H10Br2ClN3O2S
Molecular Weight515.61 g/mol
Exact Mass512.85
IUPAC Name2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2Cl)SC1=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C17H10Br2ClN3O2S/c18-11-5-10(15(24)12(19)7-11)6-14-16(25)22-17(26-14)23-21-8-9-3-1-2-4-13(9)20/h1-8,24H,(H,22,23,25)
InChIKeyGUHNGVPLBILIEP-UHFFFAOYSA-N
XLogP5.16
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one
CID 171980641
(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
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135411700
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135488680
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984
(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137172125
(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135628758
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5Z)-5-[[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137074500

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 136914336) is 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccccc2Cl)SC1=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is GUHNGVPLBILIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClN3O2S/c18-11-5-10(15(24)12(19)7-11)6-14-16(25)22-17(26-14)23-21-8-9-3-1-2-4-13(9)20/h1-8,24H,(H,22,23,25).
What are the key properties of 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 515.61 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136914336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).