2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one

C15H19NO2S — CID 173310864

IUPAC2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=C2NC(=O)CS2)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H19NO2S/c1-9-5-10(7-13-16-12(17)8-19-13)6-11(14(9)18)15(2,3)4/h5-7,18H,8H2,1-4H3,(H,16,17)
InChIKeyQNHOFIKOUPFIGK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.16
Rot. Bonds1

About 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one

2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 173310864) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID173310864
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=C2NC(=O)CS2)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H19NO2S/c1-9-5-10(7-13-16-12(17)8-19-13)6-11(14(9)18)15(2,3)4/h5-7,18H,8H2,1-4H3,(H,16,17)
InChIKeyQNHOFIKOUPFIGK-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 173310864) is 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cc(C=C2NC(=O)CS2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QNHOFIKOUPFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-5-10(7-13-16-12(17)8-19-13)6-11(14(9)18)15(2,3)4/h5-7,18H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 277.39 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 173310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).