ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one

C10H15NO2S — CID 143502276

IUPACethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one
SMILESCC.CCc1cc2c(s1)OCC(=O)N2
InChIInChI=1S/C8H9NO2S.C2H6/c1-2-5-3-6-8(12-5)11-4-7(10)9-6;1-2/h3H,2,4H2,1H3,(H,9,10);1-2H3
InChIKeyOZNACRLDCJHBGJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.67
Rot. Bonds1

About ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one

ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one (PubChem CID 143502276) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Nameethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one
PubChem CID143502276
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one
SMILESCC.CCc1cc2c(s1)OCC(=O)N2
InChIInChI=1S/C8H9NO2S.C2H6/c1-2-5-3-6-8(12-5)11-4-7(10)9-6;1-2/h3H,2,4H2,1H3,(H,9,10);1-2H3
InChIKeyOZNACRLDCJHBGJ-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one
CID 59298282
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one
CID 170981035
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
6-(5-ethyl-2-sulfanylidene-3H-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 82362812
3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen
CID 170981034
6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
6-(aminomethyl)-8-fluoro-4H-1,4-benzoxazin-3-one;hydrochloride
CID 91666287
6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 79096366
8-ethyl-6-piperazin-1-yl-4H-1,4-benzoxazin-3-one
CID 82233048

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one?
The IUPAC name of ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one (CID 143502276) is ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one is CC.CCc1cc2c(s1)OCC(=O)N2.
What is the InChIKey of ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one?
The InChIKey is OZNACRLDCJHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.C2H6/c1-2-5-3-6-8(12-5)11-4-7(10)9-6;1-2/h3H,2,4H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one?
ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one has a molecular weight of 213.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1H-thieno[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 143502276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).