1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone

C8H9NO2S — CID 82407143

IUPAC1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone
SMILESCC(=O)c1scc2c1OCCN2
InChIInChI=1S/C8H9NO2S/c1-5(10)8-7-6(4-12-8)9-2-3-11-7/h4,9H,2-3H2,1H3
InChIKeyDITHWISDYSFFPX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.75
Rot. Bonds1

About 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone

1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone (PubChem CID 82407143) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone
PubChem CID82407143
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone
SMILESCC(=O)c1scc2c1OCCN2
InChIInChI=1S/C8H9NO2S/c1-5(10)8-7-6(4-12-8)9-2-3-11-7/h4,9H,2-3H2,1H3
InChIKeyDITHWISDYSFFPX-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone (CID 82407143) is 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone is CC(=O)c1scc2c1OCCN2.
What is the InChIKey of 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone?
The InChIKey is DITHWISDYSFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-5(10)8-7-6(4-12-8)9-2-3-11-7/h4,9H,2-3H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone?
1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone has a molecular weight of 183.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thieno[3,4-b][1,4]oxazin-7-yl)ethanone is sourced from PubChem (CID 82407143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).