(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one

C24H20N4O2S — CID 137165922

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=N/c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)c(C)c1
InChIInChI=1S/C24H20N4O2S/c1-15-5-3-4-6-21(15)28-27-18-9-12-20(16(2)13-18)25-24-26-23(30)22(31-24)14-17-7-10-19(29)11-8-17/h3-14,29H,1-2H3,(H,25,26,30)/b22-14-,28-27+
InChIKeyLXVVFXYJXMFLEM-ACYHEVRDSA-N
MW428.52 g/mol
LogP6.32
Rot. Bonds4

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 137165922) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
PubChem CID137165922
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=N/c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)c(C)c1
InChIInChI=1S/C24H20N4O2S/c1-15-5-3-4-6-21(15)28-27-18-9-12-20(16(2)13-18)25-24-26-23(30)22(31-24)14-17-7-10-19(29)11-8-17/h3-14,29H,1-2H3,(H,25,26,30)/b22-14-,28-27+
InChIKeyLXVVFXYJXMFLEM-ACYHEVRDSA-N
XLogP6.32
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
CID 137165917
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
4-[(E)-[2-(4-hydroxy-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135948029
(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490206
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135766066
(5E)-2-(2,4-dimethylphenyl)imino-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089498
(5E)-5-[(3-bromophenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404457
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137172127
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537
2-(2,3-dimethylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135491592

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one (CID 137165922) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=N/c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)c(C)c1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is LXVVFXYJXMFLEM-ACYHEVRDSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-15-5-3-4-6-21(15)28-27-18-9-12-20(16(2)13-18)25-24-26-23(30)22(31-24)14-17-7-10-19(29)11-8-17/h3-14,29H,1-2H3,(H,25,26,30)/b22-14-,28-27+.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 428.52 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).