2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one

C13H16N2O2S — CID 136673263

IUPAC2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)/N=C1\NC(=O)C(c2ccccc2O)S1
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)15-12-14-11(17)10(18-12)8-6-4-5-7-9(8)16/h4-7,10,16H,1-3H3,(H,14,15,17)
InChIKeyCADVWWSNNHJJSA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.45
Rot. Bonds1

About 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one

2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 136673263) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID136673263
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)/N=C1\NC(=O)C(c2ccccc2O)S1
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)15-12-14-11(17)10(18-12)8-6-4-5-7-9(8)16/h4-7,10,16H,1-3H3,(H,14,15,17)
InChIKeyCADVWWSNNHJJSA-UHFFFAOYSA-N
XLogP2.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 136673263) is 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one is CC(C)(C)/N=C1\NC(=O)C(c2ccccc2O)S1.
What is the InChIKey of 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CADVWWSNNHJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2,3)15-12-14-11(17)10(18-12)8-6-4-5-7-9(8)16/h4-7,10,16H,1-3H3,(H,14,15,17).
What are the key properties of 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136673263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).