1-[2-(dimethylamino)ethyl]pyridine-4-thione

C9H14N2S — CID 14302460

IUPAC1-[2-(dimethylamino)ethyl]pyridine-4-thione
SMILESCN(C)CCn1ccc(=S)cc1
InChIInChI=1S/C9H14N2S/c1-10(2)7-8-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyCCBOHYARHYOXEF-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]pyridine-4-thione

1-[2-(dimethylamino)ethyl]pyridine-4-thione (PubChem CID 14302460) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]pyridine-4-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]pyridine-4-thione
PubChem CID14302460
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-[2-(dimethylamino)ethyl]pyridine-4-thione
SMILESCN(C)CCn1ccc(=S)cc1
InChIInChI=1S/C9H14N2S/c1-10(2)7-8-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyCCBOHYARHYOXEF-UHFFFAOYSA-N
XLogP1.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)ethyl]pyridine-4-thione 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 1-[2-(dimethylamino)ethyl]pyridine-4-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]pyridine-4-thione (CID 14302460) is 1-[2-(dimethylamino)ethyl]pyridine-4-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]pyridine-4-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]pyridine-4-thione is CN(C)CCn1ccc(=S)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]pyridine-4-thione?
The InChIKey is CCBOHYARHYOXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10(2)7-8-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]pyridine-4-thione?
1-[2-(dimethylamino)ethyl]pyridine-4-thione has a molecular weight of 182.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]pyridine-4-thione is sourced from PubChem (CID 14302460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).