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

C17H14N2O2S — CID 135498605

IUPAC(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\S/C(=N/c3cccc(O)c3)NC2=O)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)9-15-16(21)19-17(22-15)18-13-3-2-4-14(20)10-13/h2-10,20H,1H3,(H,18,19,21)/b15-9-
InChIKeyJIFPUJOIPBFOIH-DHDCSXOGSA-N
MW310.38 g/mol
LogP3.59
Rot. Bonds2

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

(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135498605) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135498605
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=C2\S/C(=N/c3cccc(O)c3)NC2=O)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)9-15-16(21)19-17(22-15)18-13-3-2-4-14(20)10-13/h2-10,20H,1H3,(H,18,19,21)/b15-9-
InChIKeyJIFPUJOIPBFOIH-DHDCSXOGSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.59
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

2-(3-iodophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 165344731
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135935111
2-(3,4-dimethylphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486677
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
2-hydroxy-5-[[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948482
(5E)-2-(3-hydroxyphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135555405
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135870759
(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135707672
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135498605) is (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/C=C2\S/C(=N/c3cccc(O)c3)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is JIFPUJOIPBFOIH-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)9-15-16(21)19-17(22-15)18-13-3-2-4-14(20)10-13/h2-10,20H,1H3,(H,18,19,21)/b15-9-.
What are the key properties of (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 310.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).