Basic information
- Standard SMILES
CC(C)c1ccc(-c2csc(N(Cc3ccccc3C(=O)O)C3CCCC3)n2)cc1- InChIKey
SUHVWYRBXODKFB-UHFFFAOYSA-N- Molecular formula
- C25H28N2O2S
- Average molar mass
- 420.6 g/mol
Names & identifiers
- Preferred name
- 2-({Cyclopentyl-[4-(4-isopropyl-phenyl)-thiazol-2-yl]-amino}-methyl)-benzoic acid
- IUPAC
- 2-[[cyclopentyl-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid
Names & synonyms
SCHEMBL3452512SUHVWYRBXODKFB-UHFFFAOYSA-N2-({Cyclopentyl-[4-(4-isopropyl-phenyl)-thiazol-2-yl]-amino}-methyl)-benzoic acid
Database identifiers
- PubChem CID
- 11539028
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
Loading…