2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

C12H12N2O2S — CID 1230260

IUPAC2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-7-14-11(16)8-17-12(14)13-9-3-5-10(15)6-4-9/h2-6,15H,1,7-8H2/b13-12+
InChIKeyVTRUQDDSWNCNSP-OUKQBFOZSA-N
MW248.31 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 1230260) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID1230260
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-7-14-11(16)8-17-12(14)13-9-3-5-10(15)6-4-9/h2-6,15H,1,7-8H2/b13-12+
InChIKeyVTRUQDDSWNCNSP-OUKQBFOZSA-N
XLogP2.14
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 1230260) is 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N/c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is VTRUQDDSWNCNSP-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-7-14-11(16)8-17-12(14)13-9-3-5-10(15)6-4-9/h2-6,15H,1,7-8H2/b13-12+.
What are the key properties of 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1230260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).