2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C12H12N4OS — CID 81122191

IUPAC2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3OC)nc2n1
InChIInChI=1S/C12H12N4OS/c1-13-9-4-3-7-11(15-9)16-12(14-7)10-8(17-2)5-6-18-10/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyZNZIUKOXQIRUSW-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.74
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 81122191) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID81122191
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3sccc3OC)nc2n1
InChIInChI=1S/C12H12N4OS/c1-13-9-4-3-7-11(15-9)16-12(14-7)10-8(17-2)5-6-18-10/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyZNZIUKOXQIRUSW-UHFFFAOYSA-N
XLogP2.74
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 81122191) is 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3sccc3OC)nc2n1.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ZNZIUKOXQIRUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-13-9-4-3-7-11(15-9)16-12(14-7)10-8(17-2)5-6-18-10/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 260.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 81122191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).