(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one

C20H20N2O2S — CID 135834449

IUPAC(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N\c2c(C)cccc2O)NC1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-11-8-9-15(10-13(11)3)14(4)18-19(24)22-20(25-18)21-17-12(2)6-5-7-16(17)23/h5-10,23H,1-4H3,(H,21,22,24)/b18-14-
InChIKeyZPFQDXVJYZKJSJ-JXAWBTAJSA-N
MW352.46 g/mol
LogP4.60
Rot. Bonds2

About (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135834449) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135834449
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N\c2c(C)cccc2O)NC1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-11-8-9-15(10-13(11)3)14(4)18-19(24)22-20(25-18)21-17-12(2)6-5-7-16(17)23/h5-10,23H,1-4H3,(H,21,22,24)/b18-14-
InChIKeyZPFQDXVJYZKJSJ-JXAWBTAJSA-N
XLogP4.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834647
(5Z)-5-[1-(4-aminophenyl)ethylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135834918
(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[1-(4-methoxyphenyl)ethylidene]-1,3-thiazolidin-4-one
CID 135834340
5-[[(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834646
5-[[(5Z)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834650
2-phenylimino-5-[1-(3-pyrrol-1-ylphenyl)ethylidene]-1,3-thiazolidin-4-one
CID 141166606
(5Z)-2-(2-hydroxy-6-methylphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834441
(5E)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135717690
methyl 2-[[(5Z)-5-[1-(3-aminophenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834848
N-[4-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135834678
methyl 2-[[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834842
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135834941

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135834449) is (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N\c2c(C)cccc2O)NC1=O)c1ccc(C)c(C)c1.
What is the InChIKey of (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZPFQDXVJYZKJSJ-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-11-8-9-15(10-13(11)3)14(4)18-19(24)22-20(25-18)21-17-12(2)6-5-7-16(17)23/h5-10,23H,1-4H3,(H,21,22,24)/b18-14-.
What are the key properties of (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3,4-dimethylphenyl)ethylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).