3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine

C16H16N2S — CID 47096267

IUPAC3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
SMILESCc1cc(C)cc(CSc2ncc3ccccn23)c1
InChIInChI=1S/C16H16N2S/c1-12-7-13(2)9-14(8-12)11-19-16-17-10-15-5-3-4-6-18(15)16/h3-10H,11H2,1-2H3
InChIKeyXWGWAFSIUGOULC-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.24
Rot. Bonds3

About 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine

3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine (PubChem CID 47096267) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
PubChem CID47096267
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
SMILESCc1cc(C)cc(CSc2ncc3ccccn23)c1
InChIInChI=1S/C16H16N2S/c1-12-7-13(2)9-14(8-12)11-19-16-17-10-15-5-3-4-6-18(15)16/h3-10H,11H2,1-2H3
InChIKeyXWGWAFSIUGOULC-UHFFFAOYSA-N
XLogP4.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine (CID 47096267) is 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine is Cc1cc(C)cc(CSc2ncc3ccccn23)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine?
The InChIKey is XWGWAFSIUGOULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-7-13(2)9-14(8-12)11-19-16-17-10-15-5-3-4-6-18(15)16/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine?
3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine has a molecular weight of 268.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 47096267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).