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

C13H18N4S — CID 79293623

IUPAC6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1CCCN(C)C1
InChIInChI=1S/C13H18N4S/c1-9-6-11-12(14-7-9)17(13(18)15-11)10-4-3-5-16(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyVKMQNBPCMKZOJV-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.67
Rot. Bonds1

About 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione

6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293623) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293623
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1CCCN(C)C1
InChIInChI=1S/C13H18N4S/c1-9-6-11-12(14-7-9)17(13(18)15-11)10-4-3-5-16(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyVKMQNBPCMKZOJV-UHFFFAOYSA-N
XLogP2.67
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.67
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 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293623) is 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2C1CCCN(C)C1.
What is the InChIKey of 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is VKMQNBPCMKZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-6-11-12(14-7-9)17(13(18)15-11)10-4-3-5-16(2)8-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 262.38 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).