1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone

C15H13N3OS — CID 121275898

IUPAC1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnc(N)c(-c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C15H13N3OS/c1-8(19)10-5-12(15(17)18-7-10)14-6-9-4-11(16)2-3-13(9)20-14/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyICOOKMYKHWUTBO-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.33
Rot. Bonds2

About 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone

1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone (PubChem CID 121275898) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone
PubChem CID121275898
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cnc(N)c(-c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C15H13N3OS/c1-8(19)10-5-12(15(17)18-7-10)14-6-9-4-11(16)2-3-13(9)20-14/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyICOOKMYKHWUTBO-UHFFFAOYSA-N
XLogP3.33
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone (CID 121275898) is 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone is CC(=O)c1cnc(N)c(-c2cc3cc(N)ccc3s2)c1.
What is the InChIKey of 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone?
The InChIKey is ICOOKMYKHWUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-8(19)10-5-12(15(17)18-7-10)14-6-9-4-11(16)2-3-13(9)20-14/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone?
1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone has a molecular weight of 283.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-(5-amino-1-benzothiophen-2-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 121275898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).