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

C16H14N2OS — CID 2986305

IUPAC1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)cc(C)c2c1N
InChIInChI=1S/C16H14N2OS/c1-9-8-12(11-6-4-3-5-7-11)18-16-13(9)14(17)15(20-16)10(2)19/h3-8H,17H2,1-2H3
InChIKeyUJBXZUFOAXSNPU-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.06
Rot. Bonds2

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

1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 2986305) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone
PubChem CID2986305
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)cc(C)c2c1N
InChIInChI=1S/C16H14N2OS/c1-9-8-12(11-6-4-3-5-7-11)18-16-13(9)14(17)15(20-16)10(2)19/h3-8H,17H2,1-2H3
InChIKeyUJBXZUFOAXSNPU-UHFFFAOYSA-N
XLogP4.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.06
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-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone (CID 2986305) is 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone is CC(=O)c1sc2nc(-c3ccccc3)cc(C)c2c1N.
What is the InChIKey of 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The InChIKey is UJBXZUFOAXSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-9-8-12(11-6-4-3-5-7-11)18-16-13(9)14(17)15(20-16)10(2)19/h3-8H,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 282.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-6-phenylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 2986305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).