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

C10H9NO3S — CID 15498366

IUPACethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C10H9NO3S/c1-2-14-10(13)9-11-7-4-3-6(12)5-8(7)15-9/h3-5,12H,2H2,1H3
InChIKeyNKWMUUYSJMDDID-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.18
Rot. Bonds2

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

ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate (PubChem CID 15498366) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
PubChem CID15498366
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C10H9NO3S/c1-2-14-10(13)9-11-7-4-3-6(12)5-8(7)15-9/h3-5,12H,2H2,1H3
InChIKeyNKWMUUYSJMDDID-UHFFFAOYSA-N
XLogP2.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate?
The IUPAC name of ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate (CID 15498366) is ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate is CCOC(=O)c1nc2ccc(O)cc2s1.
What is the InChIKey of ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate?
The InChIKey is NKWMUUYSJMDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-14-10(13)9-11-7-4-3-6(12)5-8(7)15-9/h3-5,12H,2H2,1H3.
What are the key properties of ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate?
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate is sourced from PubChem (CID 15498366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).