2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one

C10H12N2O2S — CID 10036576

IUPAC2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one
SMILESCCN(CC)c1nc2sccc2c(=O)o1
InChIInChI=1S/C10H12N2O2S/c1-3-12(4-2)10-11-8-7(5-6-15-8)9(13)14-10/h5-6H,3-4H2,1-2H3
InChIKeyWCJBHIWPJAUBKU-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.10
Rot. Bonds3

About 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one

2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10036576) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID10036576
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one
SMILESCCN(CC)c1nc2sccc2c(=O)o1
InChIInChI=1S/C10H12N2O2S/c1-3-12(4-2)10-11-8-7(5-6-15-8)9(13)14-10/h5-6H,3-4H2,1-2H3
InChIKeyWCJBHIWPJAUBKU-UHFFFAOYSA-N
XLogP2.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one (CID 10036576) is 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one is CCN(CC)c1nc2sccc2c(=O)o1.
What is the InChIKey of 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is WCJBHIWPJAUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-12(4-2)10-11-8-7(5-6-15-8)9(13)14-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one?
2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 224.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10036576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).