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

C18H16N2O2S — CID 135810389

IUPAC(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccccc3O)S2)c1
InChIInChI=1S/C18H16N2O2S/c1-11-7-12(2)9-14(8-11)19-18-20-17(22)16(23-18)10-13-5-3-4-6-15(13)21/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChIKeyAXQJWIMMXVOODJ-YBEGLDIGSA-N
MW324.41 g/mol
LogP3.90
Rot. Bonds2

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

(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135810389) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135810389
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccccc3O)S2)c1
InChIInChI=1S/C18H16N2O2S/c1-11-7-12(2)9-14(8-11)19-18-20-17(22)16(23-18)10-13-5-3-4-6-15(13)21/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChIKeyAXQJWIMMXVOODJ-YBEGLDIGSA-N
XLogP3.90
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
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

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136844847
2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486627
5-[(4-bromophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500656
2-(3,5-dimethylphenyl)imino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135527338
methyl 4-[[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135642728
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136844863
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135957458
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
4-[[2-[(Z)-[2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 137173567
(5E)-2-(3,5-dimethylphenyl)imino-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136844867
2-(3,5-dimethylphenyl)imino-5-[(3-hydroxy-4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135414153
5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135445025

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135810389) is (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccccc3O)S2)c1.
What is the InChIKey of (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AXQJWIMMXVOODJ-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-7-12(2)9-14(8-11)19-18-20-17(22)16(23-18)10-13-5-3-4-6-15(13)21/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-.
What are the key properties of (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135810389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).