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

C15H24N4S — CID 81139065

IUPAC3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(CC(C)C)CN(C)C)c2n1
InChIInChI=1S/C15H24N4S/c1-10(2)8-12(9-18(4)5)19-14-13(17-15(19)20)7-6-11(3)16-14/h6-7,10,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyWSQNHAYNNXIIDB-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.55
Rot. Bonds5

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

3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81139065) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81139065
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(CC(C)C)CN(C)C)c2n1
InChIInChI=1S/C15H24N4S/c1-10(2)8-12(9-18(4)5)19-14-13(17-15(19)20)7-6-11(3)16-14/h6-7,10,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyWSQNHAYNNXIIDB-UHFFFAOYSA-N
XLogP3.55
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(dimethylamino)-4-methylpentan-2-yl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296653
3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81135434
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138578
3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138432
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138510
3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138280
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122
5-methyl-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114174222
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
CID 81138200

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81139065) is 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C(CC(C)C)CN(C)C)c2n1.
What is the InChIKey of 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is WSQNHAYNNXIIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)8-12(9-18(4)5)19-14-13(17-15(19)20)7-6-11(3)16-14/h6-7,10,12H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 292.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81139065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).