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

C8H10N4S — CID 84665579

IUPAC6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2cc(CN)cnc21
InChIInChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)2-5(3-9)4-10-7/h2,4H,3,9H2,1H3,(H,11,13)
InChIKeyVFQKCSSCDRFEND-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.09
Rot. Bonds1

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

6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 84665579) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID84665579
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2cc(CN)cnc21
InChIInChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)2-5(3-9)4-10-7/h2,4H,3,9H2,1H3,(H,11,13)
InChIKeyVFQKCSSCDRFEND-UHFFFAOYSA-N
XLogP1.09
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 63773438
3-(3-ethylpentan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301312
7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 84665578
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
6-bromo-3-butan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306746
3-butyl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293249
(3-methyl-2-methylsulfanylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84676289
2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79306600
ethyl 2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanoate
CID 79293703
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84662755
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301732

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 84665579) is 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cn1c(=S)[nH]c2cc(CN)cnc21.
What is the InChIKey of 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is VFQKCSSCDRFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)2-5(3-9)4-10-7/h2,4H,3,9H2,1H3,(H,11,13).
What are the key properties of 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 194.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 84665579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).