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

C13H19N3S — CID 114174222

IUPAC5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCC(C)(CC)n1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C13H19N3S/c1-5-13(4,6-2)16-11-10(15-12(16)17)8-7-9(3)14-11/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyOVLVIJQOXDLLBS-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.94
Rot. Bonds3

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

5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114174222) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114174222
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCC(C)(CC)n1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C13H19N3S/c1-5-13(4,6-2)16-11-10(15-12(16)17)8-7-9(3)14-11/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyOVLVIJQOXDLLBS-UHFFFAOYSA-N
XLogP3.94
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.94
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

5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
6-chloro-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106328875
6-methyl-3-(3-methylpentan-3-yl)-1H-benzimidazole-2-thione
CID 106328844
5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290431
3-[(2-chlorophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138495
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
3-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138357
5-methyl-3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106215221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 114174222) is 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione is CCC(C)(CC)n1c(=S)[nH]c2ccc(C)nc21.
What is the InChIKey of 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is OVLVIJQOXDLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-13(4,6-2)16-11-10(15-12(16)17)8-7-9(3)14-11/h7-8H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 249.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114174222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).