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

C11H15N3OS — CID 81138578

IUPAC3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCC(C)n1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C11H15N3OS/c1-7-4-5-9-10(12-7)14(11(16)13-9)8(2)6-15-3/h4-5,8H,6H2,1-3H3,(H,13,16)
InChIKeyYVFQOQALAAYTPQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.61
Rot. Bonds3

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

3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138578) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138578
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCC(C)n1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C11H15N3OS/c1-7-4-5-9-10(12-7)14(11(16)13-9)8(2)6-15-3/h4-5,8H,6H2,1-3H3,(H,13,16)
InChIKeyYVFQOQALAAYTPQ-UHFFFAOYSA-N
XLogP2.61
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.61
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 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138578) is 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is COCC(C)n1c(=S)[nH]c2ccc(C)nc21.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is YVFQOQALAAYTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-4-5-9-10(12-7)14(11(16)13-9)8(2)6-15-3/h4-5,8H,6H2,1-3H3,(H,13,16).
What are the key properties of 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 237.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).