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

C19H18N2OS — CID 135841138

IUPAC(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=C1\S/C(=N\c2c(C)cccc2C)NC1=O
InChIInChI=1S/C19H18N2OS/c1-12-7-4-5-10-15(12)11-16-18(22)21-19(23-16)20-17-13(2)8-6-9-14(17)3/h4-11H,1-3H3,(H,20,21,22)/b16-11-
InChIKeyXWUZZUQRFKYEJJ-WJDWOHSUSA-N
MW322.43 g/mol
LogP4.50
Rot. Bonds2

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

(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135841138) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135841138
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=C1\S/C(=N\c2c(C)cccc2C)NC1=O
InChIInChI=1S/C19H18N2OS/c1-12-7-4-5-10-15(12)11-16-18(22)21-19(23-16)20-17-13(2)8-6-9-14(17)3/h4-11H,1-3H3,(H,20,21,22)/b16-11-
InChIKeyXWUZZUQRFKYEJJ-WJDWOHSUSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486627
(5E)-5-[(3-chlorophenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841124
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
2-(2,6-dimethylphenyl)imino-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidin-4-one
CID 136577102
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246
2-(2,3-dimethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135496486
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 135776721
(5Z)-2-(2-methylphenyl)imino-5-[(2,4,5-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089313
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834372
(5E)-5-[(3-chloro-4,5-dihydroxyphenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135717690
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
5-[(2-cyclopropyl-1,3-thiazol-4-yl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136720519

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135841138) is (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/C=C1\S/C(=N\c2c(C)cccc2C)NC1=O.
What is the InChIKey of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XWUZZUQRFKYEJJ-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-7-4-5-10-15(12)11-16-18(22)21-19(23-16)20-17-13(2)8-6-9-14(17)3/h4-11H,1-3H3,(H,20,21,22)/b16-11-.
What are the key properties of (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135841138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).