(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C23H15Br2ClN2O2S — CID 137071708

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C23H15Br2ClN2O2S/c24-16-10-15(21(17(25)12-16)30-13-14-6-2-1-3-7-14)11-20-22(29)28-23(31-20)27-19-9-5-4-8-18(19)26/h1-12H,13H2,(H,27,28,29)/b20-11-
InChIKeyIPVHEVFDKGFFAV-JAIQZWGSSA-N
MW578.71 g/mol
LogP7.34
Rot. Bonds5

About (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137071708) has the molecular formula C23H15Br2ClN2O2S and a molecular weight of 578.71 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137071708
Molecular FormulaC23H15Br2ClN2O2S
Molecular Weight578.71 g/mol
Exact Mass575.89
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C23H15Br2ClN2O2S/c24-16-10-15(21(17(25)12-16)30-13-14-6-2-1-3-7-14)11-20-22(29)28-23(31-20)27-19-9-5-4-8-18(19)26/h1-12H,13H2,(H,27,28,29)/b20-11-
InChIKeyIPVHEVFDKGFFAV-JAIQZWGSSA-N
XLogP7.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 57.34
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'}

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Related Compounds

(5Z)-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-2-(2-methoxy-5-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137140305
(5Z)-5-[[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137074500
(5Z)-2-(4-chlorophenyl)imino-5-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137073659
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069537
(5E)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137062976
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137129102
(5Z)-2-(4-chlorophenyl)imino-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137069579
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135488680
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089480
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135496013
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137078919

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137071708) is (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is IPVHEVFDKGFFAV-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H15Br2ClN2O2S/c24-16-10-15(21(17(25)12-16)30-13-14-6-2-1-3-7-14)11-20-22(29)28-23(31-20)27-19-9-5-4-8-18(19)26/h1-12H,13H2,(H,27,28,29)/b20-11-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 578.71 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137071708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).