2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid

C8H11NO3S — CID 54595729

IUPAC2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H11NO3S/c1-3-12-5(2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyTWSLWHULHAEKCE-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.94
Rot. Bonds4

About 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid

2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 54595729) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID54595729
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H11NO3S/c1-3-12-5(2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyTWSLWHULHAEKCE-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid (CID 54595729) is 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid is CCOC(C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWSLWHULHAEKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-12-5(2)7-9-4-6(13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 54595729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).