methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate

C8H8N2O3S — CID 70296510

IUPACmethyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1cc2c(s1)OCC(N)=N2
InChIInChI=1S/C8H8N2O3S/c1-12-7(11)5-2-4-8(14-5)13-3-6(9)10-4/h2H,3H2,1H3,(H2,9,10)
InChIKeyAISYDMPXRDZTAX-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.92
Rot. Bonds1

About methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate

methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate (PubChem CID 70296510) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate
PubChem CID70296510
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Namemethyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate
SMILESCOC(=O)c1cc2c(s1)OCC(N)=N2
InChIInChI=1S/C8H8N2O3S/c1-12-7(11)5-2-4-8(14-5)13-3-6(9)10-4/h2H,3H2,1H3,(H2,9,10)
InChIKeyAISYDMPXRDZTAX-UHFFFAOYSA-N
XLogP0.92
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate?
The IUPAC name of methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate (CID 70296510) is methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate.
What is the SMILES notation for methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate?
The canonical SMILES for methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate is COC(=O)c1cc2c(s1)OCC(N)=N2.
What is the InChIKey of methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate?
The InChIKey is AISYDMPXRDZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-12-7(11)5-2-4-8(14-5)13-3-6(9)10-4/h2H,3H2,1H3,(H2,9,10).
What are the key properties of methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate?
methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate has a molecular weight of 212.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate is sourced from PubChem (CID 70296510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).