5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

C17H14N2OS — CID 135516156

IUPAC5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3)S2)c1
InChIInChI=1S/C17H14N2OS/c1-12-6-5-9-14(10-12)18-17-19-16(20)15(21-17)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20)
InChIKeyVDSPJSZKQFMWHK-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.89
Rot. Bonds2

About 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135516156) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135516156
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3)S2)c1
InChIInChI=1S/C17H14N2OS/c1-12-6-5-9-14(10-12)18-17-19-16(20)15(21-17)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20)
InChIKeyVDSPJSZKQFMWHK-UHFFFAOYSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.89
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
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135707672
2-[3-[(E)-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948159
2-(3-iodophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 165344731
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135498605
(5E)-2-(3-methylphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135403891
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137044398
5-[(1-methylindol-3-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135491642
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135516156) is 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3)S2)c1.
What is the InChIKey of 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VDSPJSZKQFMWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-6-5-9-14(10-12)18-17-19-16(20)15(21-17)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20).
What are the key properties of 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).