1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione

C10H10F3N3S — CID 113327846

IUPAC1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)(F)CCCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C10H10F3N3S/c11-10(12,13)3-1-5-16-8-2-4-14-6-7(8)15-9(16)17/h2,4,6H,1,3,5H2,(H,15,17)
InChIKeyWLGGGSZIJSWKNH-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.44
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 113327846) has the molecular formula C10H10F3N3S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID113327846
Molecular FormulaC10H10F3N3S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)(F)CCCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C10H10F3N3S/c11-10(12,13)3-1-5-16-8-2-4-14-6-7(8)15-9(16)17/h2,4,6H,1,3,5H2,(H,15,17)
InChIKeyWLGGGSZIJSWKNH-UHFFFAOYSA-N
XLogP3.44
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-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-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 113327846) is 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione is FC(F)(F)CCCn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is WLGGGSZIJSWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S/c11-10(12,13)3-1-5-16-8-2-4-14-6-7(8)15-9(16)17/h2,4,6H,1,3,5H2,(H,15,17).
What are the key properties of 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 261.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 113327846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).