3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione

C11H9N3S2 — CID 79289388

IUPAC3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2n1Cc1cccs1
InChIInChI=1S/C11H9N3S2/c15-11-13-9-4-1-5-12-10(9)14(11)7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15)
InChIKeyGFHONIGJFPXTQJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.20
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione

3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289388) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289388
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cccnc2n1Cc1cccs1
InChIInChI=1S/C11H9N3S2/c15-11-13-9-4-1-5-12-10(9)14(11)7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15)
InChIKeyGFHONIGJFPXTQJ-UHFFFAOYSA-N
XLogP3.20
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289388) is 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione is S=c1[nH]c2cccnc2n1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is GFHONIGJFPXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c15-11-13-9-4-1-5-12-10(9)14(11)7-8-3-2-6-16-8/h1-6H,7H2,(H,13,15).
What are the key properties of 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 247.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).