2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid

C8H11NO3S — CID 84670115

IUPAC2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCCOC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C8H11NO3S/c1-3-12-8(2,7(10)11)6-4-13-5-9-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyUZHFHBJTTIQGDD-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.48
Rot. Bonds4

About 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid

2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid (PubChem CID 84670115) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid
PubChem CID84670115
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCCOC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C8H11NO3S/c1-3-12-8(2,7(10)11)6-4-13-5-9-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyUZHFHBJTTIQGDD-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid (CID 84670115) is 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid is CCOC(C)(C(=O)O)c1cscn1.
What is the InChIKey of 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The InChIKey is UZHFHBJTTIQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-12-8(2,7(10)11)6-4-13-5-9-6/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid?
2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid has a molecular weight of 201.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 84670115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).