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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Related Compounds

ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate
CID 141486544
2-[1-(6-hydroxy-1,3-benzothiazol-2-yl)ethylideneamino]butanoic acid
CID 136503178
ethyl 5-methoxy-6-phenylmethoxy-1,3-benzothiazole-2-carboxylate
CID 135031458
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
CID 54160180
N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
CID 177375461
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 22059303
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1,3-benzothiazole-2-carboxylate
CID 2340177
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
CID 15691762
ethyl 3-ethyl-6-hydroxy-1-benzothiophene-2-carboxylate
CID 142739792
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805

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).