amino 6-ethoxy-1,3-benzothiazole-2-carboxylate

C10H10N2O3S — CID 57340226

IUPACamino 6-ethoxy-1,3-benzothiazole-2-carboxylate
SMILESCCOc1ccc2nc(C(=O)ON)sc2c1
InChIInChI=1S/C10H10N2O3S/c1-2-14-6-3-4-7-8(5-6)16-9(12-7)10(13)15-11/h3-5H,2,11H2,1H3
InChIKeyKYEDSYGQLUWFDF-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.73
Rot. Bonds3

About amino 6-ethoxy-1,3-benzothiazole-2-carboxylate

amino 6-ethoxy-1,3-benzothiazole-2-carboxylate (PubChem CID 57340226) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is amino 6-ethoxy-1,3-benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameamino 6-ethoxy-1,3-benzothiazole-2-carboxylate
PubChem CID57340226
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameamino 6-ethoxy-1,3-benzothiazole-2-carboxylate
SMILESCCOc1ccc2nc(C(=O)ON)sc2c1
InChIInChI=1S/C10H10N2O3S/c1-2-14-6-3-4-7-8(5-6)16-9(12-7)10(13)15-11/h3-5H,2,11H2,1H3
InChIKeyKYEDSYGQLUWFDF-UHFFFAOYSA-N
XLogP1.73
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 6-ethoxy-1,3-benzothiazole-2-carboxylate?
The IUPAC name of amino 6-ethoxy-1,3-benzothiazole-2-carboxylate (CID 57340226) is amino 6-ethoxy-1,3-benzothiazole-2-carboxylate.
What is the SMILES notation for amino 6-ethoxy-1,3-benzothiazole-2-carboxylate?
The canonical SMILES for amino 6-ethoxy-1,3-benzothiazole-2-carboxylate is CCOc1ccc2nc(C(=O)ON)sc2c1.
What is the InChIKey of amino 6-ethoxy-1,3-benzothiazole-2-carboxylate?
The InChIKey is KYEDSYGQLUWFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-14-6-3-4-7-8(5-6)16-9(12-7)10(13)15-11/h3-5H,2,11H2,1H3.
What are the key properties of amino 6-ethoxy-1,3-benzothiazole-2-carboxylate?
amino 6-ethoxy-1,3-benzothiazole-2-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 6-ethoxy-1,3-benzothiazole-2-carboxylate is sourced from PubChem (CID 57340226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).