1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone

C9H11NO2S — CID 43558848

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h2,4,11H,1,3,5-6H2
InChIKeyJHHCXEVCKPQILG-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.63
Rot. Bonds1

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone (PubChem CID 43558848) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone
PubChem CID43558848
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h2,4,11H,1,3,5-6H2
InChIKeyJHHCXEVCKPQILG-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone (CID 43558848) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone is O=C(CO)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone?
The InChIKey is JHHCXEVCKPQILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h2,4,11H,1,3,5-6H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone has a molecular weight of 197.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxyethanone is sourced from PubChem (CID 43558848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).