(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide

C11H8N2O4S — CID 1345219

IUPAC(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide
SMILESO=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1
InChIInChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5+
InChIKeyLNNAUULOSPUWQC-VMPITWQZSA-N
MW264.26 g/mol
LogP1.20
Rot. Bonds2

About (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide

(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide (PubChem CID 1345219) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide
PubChem CID1345219
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide
SMILESO=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1
InChIInChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5+
InChIKeyLNNAUULOSPUWQC-VMPITWQZSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide (CID 1345219) is (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide is O=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1.
What is the InChIKey of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide?
The InChIKey is LNNAUULOSPUWQC-VMPITWQZSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5+.
What are the key properties of (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide?
(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide has a molecular weight of 264.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 1345219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).