S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate

C11H10N2O3S2 — CID 139224186

IUPACS-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate
SMILESNc1ccccc1SC(=O)CC1SC(=O)NC1=O
InChIInChI=1S/C11H10N2O3S2/c12-6-3-1-2-4-7(6)17-9(14)5-8-10(15)13-11(16)18-8/h1-4,8H,5,12H2,(H,13,15,16)
InChIKeyOVLOBRUGANYVLR-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds3

About S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate

S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate (PubChem CID 139224186) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate.

Molecular Properties

Compound NameS-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate
PubChem CID139224186
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC NameS-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate
SMILESNc1ccccc1SC(=O)CC1SC(=O)NC1=O
InChIInChI=1S/C11H10N2O3S2/c12-6-3-1-2-4-7(6)17-9(14)5-8-10(15)13-11(16)18-8/h1-4,8H,5,12H2,(H,13,15,16)
InChIKeyOVLOBRUGANYVLR-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate?
The IUPAC name of S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate (CID 139224186) is S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate.
What is the SMILES notation for S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate?
The canonical SMILES for S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate is Nc1ccccc1SC(=O)CC1SC(=O)NC1=O.
What is the InChIKey of S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate?
The InChIKey is OVLOBRUGANYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c12-6-3-1-2-4-7(6)17-9(14)5-8-10(15)13-11(16)18-8/h1-4,8H,5,12H2,(H,13,15,16).
What are the key properties of S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate?
S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate has a molecular weight of 282.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-aminophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethanethioate is sourced from PubChem (CID 139224186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).