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

C13H17N3S — CID 114548243

IUPAC5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3CCC(C)C3)c2n1
InChIInChI=1S/C13H17N3S/c1-8-3-5-10(7-8)16-12-11(15-13(16)17)6-4-9(2)14-12/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyXJCTXBWQBMVCBD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.76
Rot. Bonds1

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

5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114548243) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114548243
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3CCC(C)C3)c2n1
InChIInChI=1S/C13H17N3S/c1-8-3-5-10(7-8)16-12-11(15-13(16)17)6-4-9(2)14-12/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyXJCTXBWQBMVCBD-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850751
5-methoxy-3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104963464
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
CID 106185150
7-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548265
3-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289629
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
CID 81138605
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548525
6-iodo-3-(3-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 114548270
3-(3,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289407
3-(3-methylcyclopentyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 114548487
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 114548243) is 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C3CCC(C)C3)c2n1.
What is the InChIKey of 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is XJCTXBWQBMVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-3-5-10(7-8)16-12-11(15-13(16)17)6-4-9(2)14-12/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 247.37 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114548243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).