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

C12H17N3O2S — CID 79301732

IUPAC3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCOCCn1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C12H17N3O2S/c1-9-7-10-11(13-8-9)15(12(18)14-10)3-4-17-6-5-16-2/h7-8H,3-6H2,1-2H3,(H,14,18)
InChIKeyWIUXCLJOYROJCM-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.07
Rot. Bonds6

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

3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79301732) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79301732
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCOCCn1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C12H17N3O2S/c1-9-7-10-11(13-8-9)15(12(18)14-10)3-4-17-6-5-16-2/h7-8H,3-6H2,1-2H3,(H,14,18)
InChIKeyWIUXCLJOYROJCM-UHFFFAOYSA-N
XLogP2.07
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79301732) is 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is COCCOCCn1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is WIUXCLJOYROJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-10-11(13-8-9)15(12(18)14-10)3-4-17-6-5-16-2/h7-8H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 267.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79301732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).