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

C11H11N5OS — CID 106419432

IUPAC3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1noc(CCn2c(=S)[nH]c3cccnc32)n1
InChIInChI=1S/C11H11N5OS/c1-7-13-9(17-15-7)4-6-16-10-8(14-11(16)18)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,14,18)
InChIKeyZBKNLZRITIHTCK-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.03
Rot. Bonds3

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

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106419432) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106419432
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1noc(CCn2c(=S)[nH]c3cccnc32)n1
InChIInChI=1S/C11H11N5OS/c1-7-13-9(17-15-7)4-6-16-10-8(14-11(16)18)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,14,18)
InChIKeyZBKNLZRITIHTCK-UHFFFAOYSA-N
XLogP2.03
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419436
6-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419458
3-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289482
3-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289225
3-(4-methylpentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290049
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289404
5-fluoro-6-iodo-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419452
5-bromo-6-fluoro-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419471
3-[3-(dimethylamino)propyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289211
3-[(6-methyl-3-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289728
3-(2-methylprop-2-enyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114617898
5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106405602

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106419432) is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1noc(CCn2c(=S)[nH]c3cccnc32)n1.
What is the InChIKey of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ZBKNLZRITIHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-13-9(17-15-7)4-6-16-10-8(14-11(16)18)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,14,18).
What are the key properties of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 261.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106419432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).