Basic information
- Standard SMILES
CC(C)Oc1ccc(Oc2ncc(C#N)s2)cc1- InChIKey
VEILUQUFHIHCFL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2S
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.0619488
Names & identifiers
- Preferred name
- 2-(4-Isopropoxyphenoxy)-1,3-thiazole-5-carbonitrile
- IUPAC
- 2-(4-propan-2-yloxyphenoxy)-1,3-thiazole-5-carbonitrile
Names & synonyms
SCHEMBL5418509VEILUQUFHIHCFL-UHFFFAOYSA-N2-(4-isopropoxyphenoxy)-1,3-thiazole-5-carbonitrile
Database identifiers
- PubChem CID
- 69434210
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
1 records
Compound notes
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