2-ethoxy-1,3-benzothiazole-7-carboxylic acid

C10H9NO3S — CID 119086424

IUPAC2-ethoxy-1,3-benzothiazole-7-carboxylic acid
SMILESCCOc1nc2cccc(C(=O)O)c2s1
InChIInChI=1S/C10H9NO3S/c1-2-14-10-11-7-5-3-4-6(9(12)13)8(7)15-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyQQGTULPVHSTKAL-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.39
Rot. Bonds3

About 2-ethoxy-1,3-benzothiazole-7-carboxylic acid

2-ethoxy-1,3-benzothiazole-7-carboxylic acid (PubChem CID 119086424) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-ethoxy-1,3-benzothiazole-7-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-1,3-benzothiazole-7-carboxylic acid
PubChem CID119086424
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-ethoxy-1,3-benzothiazole-7-carboxylic acid
SMILESCCOc1nc2cccc(C(=O)O)c2s1
InChIInChI=1S/C10H9NO3S/c1-2-14-10-11-7-5-3-4-6(9(12)13)8(7)15-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyQQGTULPVHSTKAL-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-benzothiazole-7-carboxylic acid?
The IUPAC name of 2-ethoxy-1,3-benzothiazole-7-carboxylic acid (CID 119086424) is 2-ethoxy-1,3-benzothiazole-7-carboxylic acid.
What is the SMILES notation for 2-ethoxy-1,3-benzothiazole-7-carboxylic acid?
The canonical SMILES for 2-ethoxy-1,3-benzothiazole-7-carboxylic acid is CCOc1nc2cccc(C(=O)O)c2s1.
What is the InChIKey of 2-ethoxy-1,3-benzothiazole-7-carboxylic acid?
The InChIKey is QQGTULPVHSTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-14-10-11-7-5-3-4-6(9(12)13)8(7)15-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-1,3-benzothiazole-7-carboxylic acid?
2-ethoxy-1,3-benzothiazole-7-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-benzothiazole-7-carboxylic acid is sourced from PubChem (CID 119086424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).