3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid

C10H10N2O2S — CID 83838731

IUPAC3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid
SMILESCCNc1nsc2cc(C(=O)O)ccc12
InChIInChI=1S/C10H10N2O2S/c1-2-11-9-7-4-3-6(10(13)14)5-8(7)15-12-9/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyCFMZDXCTFAUUHW-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.43
Rot. Bonds3

About 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid

3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid (PubChem CID 83838731) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid
PubChem CID83838731
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid
SMILESCCNc1nsc2cc(C(=O)O)ccc12
InChIInChI=1S/C10H10N2O2S/c1-2-11-9-7-4-3-6(10(13)14)5-8(7)15-12-9/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyCFMZDXCTFAUUHW-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid?
The IUPAC name of 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid (CID 83838731) is 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid?
The canonical SMILES for 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid is CCNc1nsc2cc(C(=O)O)ccc12.
What is the InChIKey of 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid?
The InChIKey is CFMZDXCTFAUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-11-9-7-4-3-6(10(13)14)5-8(7)15-12-9/h3-5H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid?
3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1,2-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 83838731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).