2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid

C10H10N2O2S — CID 87417576

IUPAC2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2sc(N)nc12
InChIInChI=1S/C10H10N2O2S/c1-2-5-3-6(9(13)14)4-7-8(5)12-10(11)15-7/h3-4H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyHVPWKHDDGNGESP-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid

2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid (PubChem CID 87417576) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
PubChem CID87417576
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2sc(N)nc12
InChIInChI=1S/C10H10N2O2S/c1-2-5-3-6(9(13)14)4-7-8(5)12-10(11)15-7/h3-4H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyHVPWKHDDGNGESP-UHFFFAOYSA-N
XLogP2.14
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid (CID 87417576) is 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid is CCc1cc(C(=O)O)cc2sc(N)nc12.
What is the InChIKey of 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is HVPWKHDDGNGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-5-3-6(9(13)14)4-7-8(5)12-10(11)15-7/h3-4H,2H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid?
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 87417576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).