5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid

C7H7NO4S — CID 117218324

IUPAC5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)ns1
InChIInChI=1S/C7H7NO4S/c1-2-12-7(11)5-3-4(6(9)10)8-13-5/h3H,2H2,1H3,(H,9,10)
InChIKeyOHJNQKWXLYZIQT-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.02
Rot. Bonds3

About 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid

5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid (PubChem CID 117218324) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
PubChem CID117218324
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)ns1
InChIInChI=1S/C7H7NO4S/c1-2-12-7(11)5-3-4(6(9)10)8-13-5/h3H,2H2,1H3,(H,9,10)
InChIKeyOHJNQKWXLYZIQT-UHFFFAOYSA-N
XLogP1.02
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2,2-dimethylpropanoyl)-1,2-thiazole-3-carboxylate
CID 23242303
5-ethylsulfanylcarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218325
5-ethoxy-1,2-thiazole-3-carboxylic acid
CID 83619674
3-sulfanylcarbonyl-1,2-thiazole-5-carboxylic acid
CID 117215251
propyl 3-chloro-1,2-thiazole-5-carboxylate
CID 150025641
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid (CID 117218324) is 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid is CCOC(=O)c1cc(C(=O)O)ns1.
What is the InChIKey of 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid?
The InChIKey is OHJNQKWXLYZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c1-2-12-7(11)5-3-4(6(9)10)8-13-5/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid?
5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid has a molecular weight of 201.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 117218324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).