3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile

C11H11N3OS — CID 700804

IUPAC3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCOCc1cc(C)c2c(N)c(C#N)sc2n1
InChIInChI=1S/C11H11N3OS/c1-6-3-7(5-15-2)14-11-9(6)10(13)8(4-12)16-11/h3H,5,13H2,1-2H3
InChIKeyFIXUHMCWOOZKFY-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.20
Rot. Bonds2

About 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 700804) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID700804
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCOCc1cc(C)c2c(N)c(C#N)sc2n1
InChIInChI=1S/C11H11N3OS/c1-6-3-7(5-15-2)14-11-9(6)10(13)8(4-12)16-11/h3H,5,13H2,1-2H3
InChIKeyFIXUHMCWOOZKFY-UHFFFAOYSA-N
XLogP2.20
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile (CID 700804) is 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile is COCc1cc(C)c2c(N)c(C#N)sc2n1.
What is the InChIKey of 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is FIXUHMCWOOZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-6-3-7(5-15-2)14-11-9(6)10(13)8(4-12)16-11/h3H,5,13H2,1-2H3.
What are the key properties of 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 700804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).