(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one

C24H16Cl4N2O2S — CID 124530777

IUPAC(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C24H16Cl4N2O2S/c1-13-2-6-18(11-19(13)27)30-23(31)22(33-24(30)29)9-15-8-16(25)5-7-21(15)32-12-14-3-4-17(26)10-20(14)28/h2-11,29H,12H2,1H3/b22-9-,29-24-
InChIKeyDCISZDKQQAOELS-VQLTYIDKSA-N
MW538.28 g/mol
LogP8.24
Rot. Bonds5

About (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 124530777) has the molecular formula C24H16Cl4N2O2S and a molecular weight of 538.28 g/mol. Its IUPAC name is (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID124530777
Molecular FormulaC24H16Cl4N2O2S
Molecular Weight538.28 g/mol
Exact Mass535.97
IUPAC Name(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C24H16Cl4N2O2S/c1-13-2-6-18(11-19(13)27)30-23(31)22(33-24(30)29)9-15-8-16(25)5-7-21(15)32-12-14-3-4-17(26)10-20(14)28/h2-11,29H,12H2,1H3/b22-9-,29-24-
InChIKeyDCISZDKQQAOELS-VQLTYIDKSA-N
XLogP8.24
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.28
LogP ≤ 58.24
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'}

Analyze (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 16633172
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633356
5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4071379
ethyl 4-[(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 16633446
(5E)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 126086396
(5E)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 126089968
(5E)-3-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126206069
ethyl 4-[(5Z)-5-[[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 16633464
2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16633371
5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4111455
2-[4-chloro-2-[(Z)-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16633143
(5E)-3-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126215030

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one (CID 124530777) is (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(Cl)c1.
What is the InChIKey of (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is DCISZDKQQAOELS-VQLTYIDKSA-N. The full InChI is InChI=1S/C24H16Cl4N2O2S/c1-13-2-6-18(11-19(13)27)30-23(31)22(33-24(30)29)9-15-8-16(25)5-7-21(15)32-12-14-3-4-17(26)10-20(14)28/h2-11,29H,12H2,1H3/b22-9-,29-24-.
What are the key properties of (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 538.28 g/mol, XLogP of 8.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 124530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).