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

C17H14N2O2S — CID 135486652

IUPAC5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C17H14N2O2S/c1-21-14-10-6-5-9-13(14)18-17-19-16(20)15(22-17)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20)
InChIKeySQZLMBXBUAINEV-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.59
Rot. Bonds3

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

5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135486652) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135486652
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)C(=Cc2ccccc2)S1
InChIInChI=1S/C17H14N2O2S/c1-21-14-10-6-5-9-13(14)18-17-19-16(20)15(22-17)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20)
InChIKeySQZLMBXBUAINEV-UHFFFAOYSA-N
XLogP3.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
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

4-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135955260
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500978
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135463935
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135497528
4-[[2-(2-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135523034
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137108476
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
5-[(3,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135486797
(5E)-2-(2-chlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135569411

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135486652) is 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccccc1/N=C1\NC(=O)C(=Cc2ccccc2)S1.
What is the InChIKey of 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SQZLMBXBUAINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-14-10-6-5-9-13(14)18-17-19-16(20)15(22-17)11-12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19,20).
What are the key properties of 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 310.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).