1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone

C11H12N2OS — CID 698121

IUPAC1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C11H12N2OS/c1-5-4-6(2)13-11-8(5)9(12)10(15-11)7(3)14/h4H,12H2,1-3H3
InChIKeyZDAPLZCKWHZNPX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.70
Rot. Bonds1

About 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone

1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 698121) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
PubChem CID698121
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C11H12N2OS/c1-5-4-6(2)13-11-8(5)9(12)10(15-11)7(3)14/h4H,12H2,1-3H3
InChIKeyZDAPLZCKWHZNPX-UHFFFAOYSA-N
XLogP2.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone (CID 698121) is 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone is CC(=O)c1sc2nc(C)cc(C)c2c1N.
What is the InChIKey of 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone?
The InChIKey is ZDAPLZCKWHZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-5-4-6(2)13-11-8(5)9(12)10(15-11)7(3)14/h4H,12H2,1-3H3.
What are the key properties of 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone?
1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 220.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 698121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).