ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate

C10H11NO5S — CID 11425382

IUPACethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
SMILESCCOC(=O)N1c2cccc(O)c2CS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-2-16-10(13)11-8-4-3-5-9(12)7(8)6-17(11,14)15/h3-5,12H,2,6H2,1H3
InChIKeyMGKLQIULVNFWBH-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.20
Rot. Bonds1

About ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate

ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate (PubChem CID 11425382) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
PubChem CID11425382
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Nameethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
SMILESCCOC(=O)N1c2cccc(O)c2CS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-2-16-10(13)11-8-4-3-5-9(12)7(8)6-17(11,14)15/h3-5,12H,2,6H2,1H3
InChIKeyMGKLQIULVNFWBH-UHFFFAOYSA-N
XLogP1.20
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
CID 22419897
ethyl 2-methylpyrrole-1-carboxylate
CID 89052095
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
CID 13123931
ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate
CID 107877861
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 3-amino-7-azabicyclo[4.1.0]hepta-1(6),2,4-triene-7-carboxylate
CID 19902709
ethyl (3aS,9aS)-2,2-dioxo-1,3,3a,9a-tetrahydrothieno[3,4-b][1,4]benzothiazine-9-carboxylate
CID 99975659
ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 166125578
ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 10728450
ethyl 2-(5,5-dioxophenothiazin-10-yl)-2-oxoacetate
CID 66507132

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate (CID 11425382) is ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate is CCOC(=O)N1c2cccc(O)c2CS1(=O)=O.
What is the InChIKey of ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The InChIKey is MGKLQIULVNFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-2-16-10(13)11-8-4-3-5-9(12)7(8)6-17(11,14)15/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate has a molecular weight of 257.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate is sourced from PubChem (CID 11425382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).