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

C12H18N4S — CID 79295384

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCN(C)C(C)(C)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H18N4S/c1-12(2,15(3)4)8-16-10-5-6-13-7-9(10)14-11(16)17/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyLEDRQBPKYSINBS-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.43
Rot. Bonds3

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

1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79295384) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79295384
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCN(C)C(C)(C)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H18N4S/c1-12(2,15(3)4)8-16-10-5-6-13-7-9(10)14-11(16)17/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyLEDRQBPKYSINBS-UHFFFAOYSA-N
XLogP2.43
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79295384) is 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione is CN(C)C(C)(C)Cn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is LEDRQBPKYSINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,15(3)4)8-16-10-5-6-13-7-9(10)14-11(16)17/h5-7H,8H2,1-4H3,(H,14,17).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 250.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79295384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).