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

C20H20N2OS — CID 137080635

IUPAC(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1
InChIInChI=1S/C20H20N2OS/c1-12-5-7-16(8-6-12)21-20-22-19(23)18(24-20)11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3,(H,21,22,23)/b18-11+
InChIKeyVCSYQRSBWDZRIM-WOJGMQOQSA-N
MW336.46 g/mol
LogP4.81
Rot. Bonds2

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

(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137080635) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137080635
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1
InChIInChI=1S/C20H20N2OS/c1-12-5-7-16(8-6-12)21-20-22-19(23)18(24-20)11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3,(H,21,22,23)/b18-11+
InChIKeyVCSYQRSBWDZRIM-WOJGMQOQSA-N
XLogP4.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.81
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-(3,4-dimethylphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486677
2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
(5E)-5-[(2,4-difluorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135841078
5-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135523188
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237
(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one
CID 135841097
4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136727980
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137081113
2-(3,5-dimethylphenyl)imino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135527338

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137080635) is (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)cc(C)cc3C)S2)cc1.
What is the InChIKey of (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VCSYQRSBWDZRIM-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-12-5-7-16(8-6-12)21-20-22-19(23)18(24-20)11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3,(H,21,22,23)/b18-11+.
What are the key properties of (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).