3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one

C8H9N3OS — CID 50853260

IUPAC3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one
SMILESNc1ccc(N2CCSC2=O)nc1
InChIInChI=1S/C8H9N3OS/c9-6-1-2-7(10-5-6)11-3-4-13-8(11)12/h1-2,5H,3-4,9H2
InChIKeyZSGQEWGUPSUNGF-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.34
Rot. Bonds1

About 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one

3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one (PubChem CID 50853260) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one
PubChem CID50853260
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one
SMILESNc1ccc(N2CCSC2=O)nc1
InChIInChI=1S/C8H9N3OS/c9-6-1-2-7(10-5-6)11-3-4-13-8(11)12/h1-2,5H,3-4,9H2
InChIKeyZSGQEWGUPSUNGF-UHFFFAOYSA-N
XLogP1.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one (CID 50853260) is 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one is Nc1ccc(N2CCSC2=O)nc1.
What is the InChIKey of 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one?
The InChIKey is ZSGQEWGUPSUNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-6-1-2-7(10-5-6)11-3-4-13-8(11)12/h1-2,5H,3-4,9H2.
What are the key properties of 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one?
3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one has a molecular weight of 195.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-pyridinyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 50853260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).