3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine

C17H17N3S — CID 117162624

IUPAC3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C17H17N3S/c1-12-6-2-3-8-14(12)20-16-13(7-4-10-18-16)19-17(20)15-9-5-11-21-15/h2-4,6-8,10,15H,5,9,11H2,1H3
InChIKeyHWKPHKZSCOIUTI-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.30
Rot. Bonds2

About 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine

3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162624) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162624
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C17H17N3S/c1-12-6-2-3-8-14(12)20-16-13(7-4-10-18-16)19-17(20)15-9-5-11-21-15/h2-4,6-8,10,15H,5,9,11H2,1H3
InChIKeyHWKPHKZSCOIUTI-UHFFFAOYSA-N
XLogP4.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162624) is 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is Cc1ccccc1-n1c(C2CCCS2)nc2cccnc21.
What is the InChIKey of 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is HWKPHKZSCOIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-12-6-2-3-8-14(12)20-16-13(7-4-10-18-16)19-17(20)15-9-5-11-21-15/h2-4,6-8,10,15H,5,9,11H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 295.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).