Molecular properties
- Formula
- C16H16N2O3S
- Molar mass
- 316.38 g·mol−1
- Exact mass
- 316.0882 Da
- 10
- PubChem CID
- 134018
Molecule record
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
C16H16N2O3S
316.38 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Ether
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 101V0R1N2E
- 144060-53-7
- 2-(3-CYANO-4-ISOBUTOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
- 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid
- 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
- 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-
- 6720, TEI
- 682-158-6
Show all 24 synonyms
- Adenuric
- CHEBI:31596
- DTXCID1028576
- DTXSID8048650
- Febuxostat
- Febuxostat tablets 40 mg
- Febuxostat tablets 80 mg
- Febuxostatum
- M04AA03
- NSC-758874
- RefChem:57913
- TEI6720
- TMX-67
- Tei 6720
- Uloric
- Zurig
Structure identifiers
- Canonical SMILES
- Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
- Isomeric SMILES
- CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
- InChI
- InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
- InChIKey
- BQSJTQLCZDPROO-UHFFFAOYSA-N
- PubChem CID
- 134018
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.