2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one

C13H11NOS — CID 167993249

IUPAC2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESCCc1cc(=O)c2sc3ccccc3c2[nH]1
InChIInChI=1S/C13H11NOS/c1-2-8-7-10(15)13-12(14-8)9-5-3-4-6-11(9)16-13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyWNNWUOPOBXAMLB-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.31
Rot. Bonds1

About 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one

2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one (PubChem CID 167993249) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
PubChem CID167993249
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESCCc1cc(=O)c2sc3ccccc3c2[nH]1
InChIInChI=1S/C13H11NOS/c1-2-8-7-10(15)13-12(14-8)9-5-3-4-6-11(9)16-13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyWNNWUOPOBXAMLB-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The IUPAC name of 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one (CID 167993249) is 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The canonical SMILES for 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one is CCc1cc(=O)c2sc3ccccc3c2[nH]1.
What is the InChIKey of 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The InChIKey is WNNWUOPOBXAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-2-8-7-10(15)13-12(14-8)9-5-3-4-6-11(9)16-13/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one has a molecular weight of 229.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one is sourced from PubChem (CID 167993249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).