ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate

C6H7NO3S — CID 170920611

IUPACethyl 2-oxo-5H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)S1
InChIInChI=1S/C6H7NO3S/c1-2-10-5(8)4-3-7-6(9)11-4/h3-4H,2H2,1H3
InChIKeyGKUQUIVIEGYAJS-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.86
Rot. Bonds2

About ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate

ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate (PubChem CID 170920611) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5H-1,3-thiazole-5-carboxylate
PubChem CID170920611
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Nameethyl 2-oxo-5H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)S1
InChIInChI=1S/C6H7NO3S/c1-2-10-5(8)4-3-7-6(9)11-4/h3-4H,2H2,1H3
InChIKeyGKUQUIVIEGYAJS-UHFFFAOYSA-N
XLogP0.86
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate (CID 170920611) is ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate is CCOC(=O)C1C=NC(=O)S1.
What is the InChIKey of ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate?
The InChIKey is GKUQUIVIEGYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-2-10-5(8)4-3-7-6(9)11-4/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate?
ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate has a molecular weight of 173.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170920611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).