N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide

C11H10N2O3S — CID 12850973

IUPACN-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2SC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-6(14)12-8-4-2-7(3-5-8)9-10(15)13-11(16)17-9/h2-5,9H,1H3,(H,12,14)(H,13,15,16)
InChIKeyLUVXFAUTAYTROS-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.67
Rot. Bonds2

About N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide

N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide (PubChem CID 12850973) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide
PubChem CID12850973
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2SC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-6(14)12-8-4-2-7(3-5-8)9-10(15)13-11(16)17-9/h2-5,9H,1H3,(H,12,14)(H,13,15,16)
InChIKeyLUVXFAUTAYTROS-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide (CID 12850973) is N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2SC(=O)NC2=O)cc1.
What is the InChIKey of N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide?
The InChIKey is LUVXFAUTAYTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6(14)12-8-4-2-7(3-5-8)9-10(15)13-11(16)17-9/h2-5,9H,1H3,(H,12,14)(H,13,15,16).
What are the key properties of N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide?
N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide has a molecular weight of 250.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dioxo-1,3-thiazolidin-5-yl)phenyl]acetamide is sourced from PubChem (CID 12850973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).