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

C8H10N4S — CID 84665578

IUPAC7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2c(CN)ccnc21
InChIInChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)5(4-9)2-3-10-7/h2-3H,4,9H2,1H3,(H,11,13)
InChIKeyUYHPMLUODANFRF-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.09
Rot. Bonds1

About 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione

7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 84665578) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID84665578
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCn1c(=S)[nH]c2c(CN)ccnc21
InChIInChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)5(4-9)2-3-10-7/h2-3H,4,9H2,1H3,(H,11,13)
InChIKeyUYHPMLUODANFRF-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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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 84665578) is 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cn1c(=S)[nH]c2c(CN)ccnc21.
What is the InChIKey of 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is UYHPMLUODANFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-7-6(11-8(12)13)5(4-9)2-3-10-7/h2-3H,4,9H2,1H3,(H,11,13).
What are the key properties of 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
7-(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 7-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 84665578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).