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

C13H17N3S — CID 81137984

IUPAC5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3(C)CCCC3)c2n1
InChIInChI=1S/C13H17N3S/c1-9-5-6-10-11(14-9)16(12(17)15-10)13(2)7-3-4-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyFRSOSHQELXXKHJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.69
Rot. Bonds1

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

5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81137984) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81137984
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3(C)CCCC3)c2n1
InChIInChI=1S/C13H17N3S/c1-9-5-6-10-11(14-9)16(12(17)15-10)13(2)7-3-4-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyFRSOSHQELXXKHJ-UHFFFAOYSA-N
XLogP3.69
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.69
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 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 81137984) is 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C3(C)CCCC3)c2n1.
What is the InChIKey of 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is FRSOSHQELXXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-5-6-10-11(14-9)16(12(17)15-10)13(2)7-3-4-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 247.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81137984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).