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

C10H10N2O2S — CID 601008

IUPACethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyVYJSGJXWKSDUSG-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.06
Rot. Bonds2

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

ethyl 2-amino-1,3-benzothiazole-6-carboxylate (PubChem CID 601008) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 2-amino-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1,3-benzothiazole-6-carboxylate
PubChem CID601008
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyVYJSGJXWKSDUSG-UHFFFAOYSA-N
XLogP2.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The IUPAC name of ethyl 2-amino-1,3-benzothiazole-6-carboxylate (CID 601008) is ethyl 2-amino-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 2-amino-1,3-benzothiazole-6-carboxylate is CCOC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The InChIKey is VYJSGJXWKSDUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-amino-1,3-benzothiazole-6-carboxylate?
ethyl 2-amino-1,3-benzothiazole-6-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 601008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).