4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione

C8H8N2OS2 — CID 154354630

IUPAC4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione
SMILESOC1CSC(=S)N1c1cccnc1
InChIInChI=1S/C8H8N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4,7,11H,5H2
InChIKeyGYGGYNAIIXPJJJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.24
Rot. Bonds1

About 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione

4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione (PubChem CID 154354630) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione
PubChem CID154354630
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione
SMILESOC1CSC(=S)N1c1cccnc1
InChIInChI=1S/C8H8N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4,7,11H,5H2
InChIKeyGYGGYNAIIXPJJJ-UHFFFAOYSA-N
XLogP1.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione (CID 154354630) is 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione is OC1CSC(=S)N1c1cccnc1.
What is the InChIKey of 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione?
The InChIKey is GYGGYNAIIXPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4,7,11H,5H2.
What are the key properties of 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione?
4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione has a molecular weight of 212.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pyridin-3-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 154354630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).