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

C13H14N4OS — CID 106389035

IUPAC6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C(C)c1ncc(C)o1
InChIInChI=1S/C13H14N4OS/c1-7-4-10-11(14-5-7)17(13(19)16-10)9(3)12-15-6-8(2)18-12/h4-6,9H,1-3H3,(H,16,19)
InChIKeyRPUMKWXDIWCJSJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.31
Rot. Bonds2

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

6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106389035) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106389035
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C(C)c1ncc(C)o1
InChIInChI=1S/C13H14N4OS/c1-7-4-10-11(14-5-7)17(13(19)16-10)9(3)12-15-6-8(2)18-12/h4-6,9H,1-3H3,(H,16,19)
InChIKeyRPUMKWXDIWCJSJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.31
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 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106389035) is 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2C(C)c1ncc(C)o1.
What is the InChIKey of 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is RPUMKWXDIWCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-7-4-10-11(14-5-7)17(13(19)16-10)9(3)12-15-6-8(2)18-12/h4-6,9H,1-3H3,(H,16,19).
What are the key properties of 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 274.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106389035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).