6-amino-4H-thieno[3,2-b]pyridin-5-one

C7H6N2OS — CID 117275189

IUPAC6-amino-4H-thieno[3,2-b]pyridin-5-one
SMILESNc1cc2sccc2[nH]c1=O
InChIInChI=1S/C7H6N2OS/c8-4-3-6-5(1-2-11-6)9-7(4)10/h1-3H,8H2,(H,9,10)
InChIKeyZSKNKAOYKYWOFZ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.17
Rot. Bonds

About 6-amino-4H-thieno[3,2-b]pyridin-5-one

6-amino-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 117275189) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 6-amino-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-amino-4H-thieno[3,2-b]pyridin-5-one
PubChem CID117275189
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name6-amino-4H-thieno[3,2-b]pyridin-5-one
SMILESNc1cc2sccc2[nH]c1=O
InChIInChI=1S/C7H6N2OS/c8-4-3-6-5(1-2-11-6)9-7(4)10/h1-3H,8H2,(H,9,10)
InChIKeyZSKNKAOYKYWOFZ-UHFFFAOYSA-N
XLogP1.17
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-amino-4H-thieno[3,2-b]pyridin-5-one (CID 117275189) is 6-amino-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-amino-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-amino-4H-thieno[3,2-b]pyridin-5-one is Nc1cc2sccc2[nH]c1=O.
What is the InChIKey of 6-amino-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ZSKNKAOYKYWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-4-3-6-5(1-2-11-6)9-7(4)10/h1-3H,8H2,(H,9,10).
What are the key properties of 6-amino-4H-thieno[3,2-b]pyridin-5-one?
6-amino-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 166.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 117275189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).