3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione

C10H11N3O3S — CID 43259723

IUPAC3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(=O)n(CCN2C(=O)CSC2=O)c1
InChIInChI=1S/C10H11N3O3S/c11-7-1-2-8(14)12(5-7)3-4-13-9(15)6-17-10(13)16/h1-2,5H,3-4,6,11H2
InChIKeyUVZFCRNMYSVUHG-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.13
Rot. Bonds3

About 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione

3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 43259723) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID43259723
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(=O)n(CCN2C(=O)CSC2=O)c1
InChIInChI=1S/C10H11N3O3S/c11-7-1-2-8(14)12(5-7)3-4-13-9(15)6-17-10(13)16/h1-2,5H,3-4,6,11H2
InChIKeyUVZFCRNMYSVUHG-UHFFFAOYSA-N
XLogP0.13
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione (CID 43259723) is 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione is Nc1ccc(=O)n(CCN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UVZFCRNMYSVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c11-7-1-2-8(14)12(5-7)3-4-13-9(15)6-17-10(13)16/h1-2,5H,3-4,6,11H2.
What are the key properties of 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 253.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43259723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).