3-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C7H7N3S — CID 661574

IUPAC3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C7H7N3S/c1-10-6-5(9-7(10)11)3-2-4-8-6/h2-4H,1H3,(H,9,11)
InChIKeyXDRROGHZOCQQIB-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.63
Rot. Bonds

About 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 661574) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID661574
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C7H7N3S/c1-10-6-5(9-7(10)11)3-2-4-8-6/h2-4H,1H3,(H,9,11)
InChIKeyXDRROGHZOCQQIB-UHFFFAOYSA-N
XLogP1.63
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 661574) is 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cn1c(=S)[nH]c2cccnc21.
What is the InChIKey of 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is XDRROGHZOCQQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-10-6-5(9-7(10)11)3-2-4-8-6/h2-4H,1H3,(H,9,11).
What are the key properties of 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 165.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 661574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).