2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

C15H15NO5S — CID 9159640

IUPAC2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)c1nc(CC(=O)O)cs1
InChIInChI=1S/C15H15NO5S/c1-2-20-12-5-3-4-6-13(12)21-8-11(17)15-16-10(9-22-15)7-14(18)19/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyIRHZLQKFMQXFAI-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.43
Rot. Bonds8

About 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9159640) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9159640
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)c1nc(CC(=O)O)cs1
InChIInChI=1S/C15H15NO5S/c1-2-20-12-5-3-4-6-13(12)21-8-11(17)15-16-10(9-22-15)7-14(18)19/h3-6,9H,2,7-8H2,1H3,(H,18,19)
InChIKeyIRHZLQKFMQXFAI-UHFFFAOYSA-N
XLogP2.43
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159498
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159485
2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159664
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
ethyl 2-[2-(2-methoxyacetyl)-1,3-thiazol-4-yl]acetate
CID 155133197
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159320
2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (CID 9159640) is 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is CCOc1ccccc1OCC(=O)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is IRHZLQKFMQXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-2-20-12-5-3-4-6-13(12)21-8-11(17)15-16-10(9-22-15)7-14(18)19/h3-6,9H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9159640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).