1H-pyridine-4-thione;1,3-thiazolidine

C8H12N2S2 — CID 158153623

IUPAC1H-pyridine-4-thione;1,3-thiazolidine
SMILESC1CSCN1.S=c1cc[nH]cc1
InChIInChI=1S/C5H5NS.C3H7NS/c7-5-1-3-6-4-2-5;1-2-5-3-4-1/h1-4H,(H,6,7);4H,1-3H2
InChIKeyFVKORLFOWNOFJN-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.02
Rot. Bonds

About 1H-pyridine-4-thione;1,3-thiazolidine

1H-pyridine-4-thione;1,3-thiazolidine (PubChem CID 158153623) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1H-pyridine-4-thione;1,3-thiazolidine.

Molecular Properties

Compound Name1H-pyridine-4-thione;1,3-thiazolidine
PubChem CID158153623
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1H-pyridine-4-thione;1,3-thiazolidine
SMILESC1CSCN1.S=c1cc[nH]cc1
InChIInChI=1S/C5H5NS.C3H7NS/c7-5-1-3-6-4-2-5;1-2-5-3-4-1/h1-4H,(H,6,7);4H,1-3H2
InChIKeyFVKORLFOWNOFJN-UHFFFAOYSA-N
XLogP2.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-pyridine-4-thione;1,3-thiazolidine with MolForge

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

Launch Full Analysis

Related Compounds

(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione
CID 10931722
2H-thiazine;1,3-thiazolidine
CID 160391364

Frequently Asked Questions

What is the IUPAC name of 1H-pyridine-4-thione;1,3-thiazolidine?
The IUPAC name of 1H-pyridine-4-thione;1,3-thiazolidine (CID 158153623) is 1H-pyridine-4-thione;1,3-thiazolidine.
What is the SMILES notation for 1H-pyridine-4-thione;1,3-thiazolidine?
The canonical SMILES for 1H-pyridine-4-thione;1,3-thiazolidine is C1CSCN1.S=c1cc[nH]cc1.
What is the InChIKey of 1H-pyridine-4-thione;1,3-thiazolidine?
The InChIKey is FVKORLFOWNOFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.C3H7NS/c7-5-1-3-6-4-2-5;1-2-5-3-4-1/h1-4H,(H,6,7);4H,1-3H2.
What are the key properties of 1H-pyridine-4-thione;1,3-thiazolidine?
1H-pyridine-4-thione;1,3-thiazolidine has a molecular weight of 200.33 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridine-4-thione;1,3-thiazolidine is sourced from PubChem (CID 158153623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).