2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one

C17H14N2O3S — CID 135476427

IUPAC2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-13-8-6-12(7-9-13)18-17-19-16(22)15(23-17)10-14(21)11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,19,22)
InChIKeyVSDGGXTWOQLZBK-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one

2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one (PubChem CID 135476427) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
PubChem CID135476427
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-13-8-6-12(7-9-13)18-17-19-16(22)15(23-17)10-14(21)11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,19,22)
InChIKeyVSDGGXTWOQLZBK-UHFFFAOYSA-N
XLogP2.88
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one (CID 135476427) is 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one is O=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is VSDGGXTWOQLZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-13-8-6-12(7-9-13)18-17-19-16(22)15(23-17)10-14(21)11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,19,22).
What are the key properties of 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one?
2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 326.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135476427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).