5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione

C16H12N4S — CID 81139416

IUPAC5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(-c3cccc4cccnc34)c2n1
InChIInChI=1S/C16H12N4S/c1-10-7-8-12-15(18-10)20(16(21)19-12)13-6-2-4-11-5-3-9-17-14(11)13/h2-9H,1H3,(H,19,21)
InChIKeyMLZAAIVGWBGZIK-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.94
Rot. Bonds1

About 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione

5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81139416) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81139416
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(-c3cccc4cccnc34)c2n1
InChIInChI=1S/C16H12N4S/c1-10-7-8-12-15(18-10)20(16(21)19-12)13-6-2-4-11-5-3-9-17-14(11)13/h2-9H,1H3,(H,19,21)
InChIKeyMLZAAIVGWBGZIK-UHFFFAOYSA-N
XLogP3.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81139416) is 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(-c3cccc4cccnc34)c2n1.
What is the InChIKey of 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is MLZAAIVGWBGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-10-7-8-12-15(18-10)20(16(21)19-12)13-6-2-4-11-5-3-9-17-14(11)13/h2-9H,1H3,(H,19,21).
What are the key properties of 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 292.37 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81139416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).