2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one

C19H30N2O2S — CID 10154911

IUPAC2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCCCCCCCCNc1nc2sc(C)cc2c(=O)o1
InChIInChI=1S/C19H30N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-20-19-21-17-16(18(22)23-19)14-15(2)24-17/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeyAFKJAEDTUZQVAO-UHFFFAOYSA-N
MW350.53 g/mol
LogP5.89
Rot. Bonds12

About 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one

2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10154911) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID10154911
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCCCCCCCCNc1nc2sc(C)cc2c(=O)o1
InChIInChI=1S/C19H30N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-20-19-21-17-16(18(22)23-19)14-15(2)24-17/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeyAFKJAEDTUZQVAO-UHFFFAOYSA-N
XLogP5.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one (CID 10154911) is 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one is CCCCCCCCCCCCNc1nc2sc(C)cc2c(=O)o1.
What is the InChIKey of 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is AFKJAEDTUZQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-20-19-21-17-16(18(22)23-19)14-15(2)24-17/h14H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one?
2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 350.53 g/mol, XLogP of 5.89, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)-6-methylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10154911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).