2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride

C12H12ClN3O2S2 — CID 23316754

IUPAC2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCOc1cc(S(C)=O)sc1-c1nc2ncccc2[nH]1.Cl
InChIInChI=1S/C12H11N3O2S2.ClH/c1-17-8-6-9(19(2)16)18-10(8)12-14-7-4-3-5-13-11(7)15-12;/h3-6H,1-2H3,(H,13,14,15);1H
InChIKeyRUEDBSWNAQWHMX-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride

2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 23316754) has the molecular formula C12H12ClN3O2S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID23316754
Molecular FormulaC12H12ClN3O2S2
Molecular Weight329.83 g/mol
Exact Mass329.01
IUPAC Name2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCOc1cc(S(C)=O)sc1-c1nc2ncccc2[nH]1.Cl
InChIInChI=1S/C12H11N3O2S2.ClH/c1-17-8-6-9(19(2)16)18-10(8)12-14-7-4-3-5-13-11(7)15-12;/h3-6H,1-2H3,(H,13,14,15);1H
InChIKeyRUEDBSWNAQWHMX-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 23316754) is 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride is COc1cc(S(C)=O)sc1-c1nc2ncccc2[nH]1.Cl.
What is the InChIKey of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is RUEDBSWNAQWHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2.ClH/c1-17-8-6-9(19(2)16)18-10(8)12-14-7-4-3-5-13-11(7)15-12;/h3-6H,1-2H3,(H,13,14,15);1H.
What are the key properties of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride?
2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 23316754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).