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

C14H20N4OS — CID 105419282

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(CC3(N(C)C)CCC3)c2n1
InChIInChI=1S/C14H20N4OS/c1-17(2)14(7-4-8-14)9-18-12-10(15-13(18)20)5-6-11(16-12)19-3/h5-6H,4,7-9H2,1-3H3,(H,15,20)
InChIKeyRSAQLQIHIAZPOJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.59
Rot. Bonds4

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

3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 105419282) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID105419282
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc2[nH]c(=S)n(CC3(N(C)C)CCC3)c2n1
InChIInChI=1S/C14H20N4OS/c1-17(2)14(7-4-8-14)9-18-12-10(15-13(18)20)5-6-11(16-12)19-3/h5-6H,4,7-9H2,1-3H3,(H,15,20)
InChIKeyRSAQLQIHIAZPOJ-UHFFFAOYSA-N
XLogP2.59
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione (CID 105419282) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc2[nH]c(=S)n(CC3(N(C)C)CCC3)c2n1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is RSAQLQIHIAZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-17(2)14(7-4-8-14)9-18-12-10(15-13(18)20)5-6-11(16-12)19-3/h5-6H,4,7-9H2,1-3H3,(H,15,20).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione?
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 292.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 105419282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).