2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C17H15N3O3S — CID 135520999

IUPAC2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O3S/c21-13-8-6-12(7-9-13)19-17-20-16(23)14(24-17)10-15(22)18-11-4-2-1-3-5-11/h1-9,14,21H,10H2,(H,18,22)(H,19,20,23)
InChIKeyZWZBVWDETODANW-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135520999) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135520999
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O3S/c21-13-8-6-12(7-9-13)19-17-20-16(23)14(24-17)10-15(22)18-11-4-2-1-3-5-11/h1-9,14,21H,10H2,(H,18,22)(H,19,20,23)
InChIKeyZWZBVWDETODANW-UHFFFAOYSA-N
XLogP2.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
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-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135520999) is 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ZWZBVWDETODANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-13-8-6-12(7-9-13)19-17-20-16(23)14(24-17)10-15(22)18-11-4-2-1-3-5-11/h1-9,14,21H,10H2,(H,18,22)(H,19,20,23).
What are the key properties of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 341.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).