ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate

C6H7NO4S — CID 70474629

IUPACethyl 1,1-dioxo-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)C1=NS(=O)(=O)C=C1
InChIInChI=1S/C6H7NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h3-4H,2H2,1H3
InChIKeyUXGBRQRKOUODTL-UHFFFAOYSA-N
MW189.19 g/mol
LogP-0.15
Rot. Bonds2

About ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate

ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate (PubChem CID 70474629) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,1-dioxo-1,2-thiazole-3-carboxylate
PubChem CID70474629
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Nameethyl 1,1-dioxo-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)C1=NS(=O)(=O)C=C1
InChIInChI=1S/C6H7NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h3-4H,2H2,1H3
InChIKeyUXGBRQRKOUODTL-UHFFFAOYSA-N
XLogP-0.15
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-acetyl-2H-pyrrole-5-carboxylate
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CID 163395737
CID 163395737
ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 166058595
diethyl benzene-1,3-dicarboxylate
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CID 56839093
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732
ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
ethyl 2-aminocyclopropene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate?
The IUPAC name of ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate (CID 70474629) is ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate?
The canonical SMILES for ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate is CCOC(=O)C1=NS(=O)(=O)C=C1.
What is the InChIKey of ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate?
The InChIKey is UXGBRQRKOUODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate?
ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate has a molecular weight of 189.19 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,1-dioxo-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 70474629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).