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

C7H7NO4S — CID 66714979

IUPAC2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC(=O)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-3-4(13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyQJFUSYNFWLGJIO-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.02
Rot. Bonds3

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

2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid (PubChem CID 66714979) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
PubChem CID66714979
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC(=O)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-3-4(13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyQJFUSYNFWLGJIO-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 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 114267554
ethyl 5-pentyl-1,3-thiazole-2-carboxylate;5-pentyl-1,3-thiazole-2-carboxylic acid
CID 139349558
ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 114267531
ethyl 5-(benzenesulfonyl)-1,3-thiazole-2-carboxylate
CID 130314037
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754860
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
CID 80571694
2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 162148824
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid (CID 66714979) is 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid is CCOC(=O)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QJFUSYNFWLGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-3-4(13-5)6(9)10/h3H,2H2,1H3,(H,9,10).
What are the key properties of 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid?
2-ethoxycarbonyl-1,3-thiazole-5-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 2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66714979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).