3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione

C11H16N4S — CID 79289211

IUPAC3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCN(C)CCCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C11H16N4S/c1-14(2)7-4-8-15-10-9(13-11(15)16)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyQLMUZOOSJPAYLC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.05
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione

3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289211) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289211
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCN(C)CCCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C11H16N4S/c1-14(2)7-4-8-15-10-9(13-11(15)16)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyQLMUZOOSJPAYLC-UHFFFAOYSA-N
XLogP2.05
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]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 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289211) is 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione is CN(C)CCCn1c(=S)[nH]c2cccnc21.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QLMUZOOSJPAYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-14(2)7-4-8-15-10-9(13-11(15)16)5-3-6-12-10/h3,5-6H,4,7-8H2,1-2H3,(H,13,16).
What are the key properties of 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione?
3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 236.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).