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

C11H16N4S — CID 79295922

IUPAC1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(Cn1c(=S)[nH]c2cnccc21)N(C)C
InChIInChI=1S/C11H16N4S/c1-8(14(2)3)7-15-10-4-5-12-6-9(10)13-11(15)16/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyPWJIFWOIVYSTFY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds3

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

1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79295922) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79295922
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(Cn1c(=S)[nH]c2cnccc21)N(C)C
InChIInChI=1S/C11H16N4S/c1-8(14(2)3)7-15-10-4-5-12-6-9(10)13-11(15)16/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyPWJIFWOIVYSTFY-UHFFFAOYSA-N
XLogP2.04
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)propyl]-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

Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-(4-methylpentan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295466
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296653
1-(1-piperidin-1-ylpropan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296184
1-[2-(dimethylamino)propyl]imidazo[4,5-c]pyridin-2-amine
CID 79296345
6-bromo-3-[2-(dimethylamino)propyl]-5-fluoro-1H-benzimidazole-2-thione
CID 66088990
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296475
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79295922) is 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione is CC(Cn1c(=S)[nH]c2cnccc21)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is PWJIFWOIVYSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(14(2)3)7-15-10-4-5-12-6-9(10)13-11(15)16/h4-6,8H,7H2,1-3H3,(H,13,16).
What are the key properties of 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 236.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79295922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).