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

C24H18BrClN2O2S — CID 137118772

IUPAC(5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)S1
InChIInChI=1S/C24H18BrClN2O2S/c1-15-6-11-19(26)13-20(15)27-24-28-23(29)22(31-24)12-17-4-2-3-5-21(17)30-14-16-7-9-18(25)10-8-16/h2-13H,14H2,1H3,(H,27,28,29)/b22-12-
InChIKeyNODNHWRLPIYRMR-UUYOSTAYSA-N
MW513.84 g/mol
LogP6.88
Rot. Bonds5

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

(5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137118772) has the molecular formula C24H18BrClN2O2S and a molecular weight of 513.84 g/mol. Its IUPAC name is (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137118772
Molecular FormulaC24H18BrClN2O2S
Molecular Weight513.84 g/mol
Exact Mass512.00
IUPAC Name(5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)S1
InChIInChI=1S/C24H18BrClN2O2S/c1-15-6-11-19(26)13-20(15)27-24-28-23(29)22(31-24)12-17-4-2-3-5-21(17)30-14-16-7-9-18(25)10-8-16/h2-13H,14H2,1H3,(H,27,28,29)/b22-12-
InChIKeyNODNHWRLPIYRMR-UUYOSTAYSA-N
XLogP6.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.84
LogP ≤ 56.88
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

4-[[2-[(Z)-[2-(5-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 137079902
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137173799
(5E)-2-(4-bromophenyl)imino-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063676
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064721
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137137178
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137162601
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135473878
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137140558
(5Z)-5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137074887
(5Z)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137162471
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137136444
(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118704

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 137118772) is (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)S1.
What is the InChIKey of (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is NODNHWRLPIYRMR-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H18BrClN2O2S/c1-15-6-11-19(26)13-20(15)27-24-28-23(29)22(31-24)12-17-4-2-3-5-21(17)30-14-16-7-9-18(25)10-8-16/h2-13H,14H2,1H3,(H,27,28,29)/b22-12-.
What are the key properties of (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 513.84 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137118772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).