2-(5-ethyl-1,3-thiazol-4-yl)acetic acid

C7H9NO2S — CID 54326312

IUPAC2-(5-ethyl-1,3-thiazol-4-yl)acetic acid
SMILESCCc1scnc1CC(=O)O
InChIInChI=1S/C7H9NO2S/c1-2-6-5(3-7(9)10)8-4-11-6/h4H,2-3H2,1H3,(H,9,10)
InChIKeyFFIXNBGXJWLWBQ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.33
Rot. Bonds3

About 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid

2-(5-ethyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 54326312) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1,3-thiazol-4-yl)acetic acid
PubChem CID54326312
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-(5-ethyl-1,3-thiazol-4-yl)acetic acid
SMILESCCc1scnc1CC(=O)O
InChIInChI=1S/C7H9NO2S/c1-2-6-5(3-7(9)10)8-4-11-6/h4H,2-3H2,1H3,(H,9,10)
InChIKeyFFIXNBGXJWLWBQ-UHFFFAOYSA-N
XLogP1.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid (CID 54326312) is 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid is CCc1scnc1CC(=O)O.
What is the InChIKey of 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is FFIXNBGXJWLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-2-6-5(3-7(9)10)8-4-11-6/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid?
2-(5-ethyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 171.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 54326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).