2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

C15H15NO4S — CID 9159498

IUPAC2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(C)c(OCC(=O)c2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C15H15NO4S/c1-9-3-4-10(2)13(5-9)20-7-12(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyKAMZEOWARAIVGY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9159498) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9159498
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(C)c(OCC(=O)c2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C15H15NO4S/c1-9-3-4-10(2)13(5-9)20-7-12(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyKAMZEOWARAIVGY-UHFFFAOYSA-N
XLogP2.65
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159640
2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159664
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (CID 9159498) is 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is Cc1ccc(C)c(OCC(=O)c2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KAMZEOWARAIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-3-4-10(2)13(5-9)20-7-12(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9159498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).