2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

C13H18N2O2S — CID 10264928

IUPAC2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCN(CC)c1nc2scc(C(C)C)c2c(=O)o1
InChIInChI=1S/C13H18N2O2S/c1-5-15(6-2)13-14-11-10(12(16)17-13)9(7-18-11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyRYCIORVNRWSZRJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.22
Rot. Bonds4

About 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one

2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10264928) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID10264928
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCN(CC)c1nc2scc(C(C)C)c2c(=O)o1
InChIInChI=1S/C13H18N2O2S/c1-5-15(6-2)13-14-11-10(12(16)17-13)9(7-18-11)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyRYCIORVNRWSZRJ-UHFFFAOYSA-N
XLogP3.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 10264928) is 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1.
What is the InChIKey of 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is RYCIORVNRWSZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-5-15(6-2)13-14-11-10(12(16)17-13)9(7-18-11)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one?
2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 266.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10264928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).