2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine

C9H11N3S — CID 146855352

IUPAC2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine
SMILESCSCc1cc2nc(C)[nH]c2cn1
InChIInChI=1S/C9H11N3S/c1-6-11-8-3-7(5-13-2)10-4-9(8)12-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeySJMICKITEJYENU-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.13
Rot. Bonds2

About 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine

2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 146855352) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine
PubChem CID146855352
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine
SMILESCSCc1cc2nc(C)[nH]c2cn1
InChIInChI=1S/C9H11N3S/c1-6-11-8-3-7(5-13-2)10-4-9(8)12-6/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeySJMICKITEJYENU-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine (CID 146855352) is 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine is CSCc1cc2nc(C)[nH]c2cn1.
What is the InChIKey of 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is SJMICKITEJYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-11-8-3-7(5-13-2)10-4-9(8)12-6/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine?
2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 193.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 146855352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).