2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one

C9H10N2O2S — CID 57188159

IUPAC2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1csc2nc(C(C)N)oc(=O)c12
InChIInChI=1S/C9H10N2O2S/c1-4-3-14-8-6(4)9(12)13-7(11-8)5(2)10/h3,5H,10H2,1-2H3
InChIKeyDZOAIQAOCJNKML-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.58
Rot. Bonds1

About 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one

2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 57188159) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID57188159
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1csc2nc(C(C)N)oc(=O)c12
InChIInChI=1S/C9H10N2O2S/c1-4-3-14-8-6(4)9(12)13-7(11-8)5(2)10/h3,5H,10H2,1-2H3
InChIKeyDZOAIQAOCJNKML-UHFFFAOYSA-N
XLogP1.58
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one (CID 57188159) is 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one is Cc1csc2nc(C(C)N)oc(=O)c12.
What is the InChIKey of 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is DZOAIQAOCJNKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-3-14-8-6(4)9(12)13-7(11-8)5(2)10/h3,5H,10H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one?
2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 210.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-methylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 57188159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).