2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

C12H11N3OS2 — CID 10356161

IUPAC2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(SC)sc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H11N3OS2/c1-16-9-5-10(17-2)18-11(9)12-14-7-3-4-13-6-8(7)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyAVJYNZDSPDVHIY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 10356161) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID10356161
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(SC)sc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H11N3OS2/c1-16-9-5-10(17-2)18-11(9)12-14-7-3-4-13-6-8(7)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyAVJYNZDSPDVHIY-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.42
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-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (CID 10356161) is 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is COc1cc(SC)sc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is AVJYNZDSPDVHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-16-9-5-10(17-2)18-11(9)12-14-7-3-4-13-6-8(7)15-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
2-(3-methoxy-5-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 277.37 g/mol, XLogP of 3.42, 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-methylsulfanylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 10356161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).