Basic information
- CAS
860344-65-6- Standard SMILES
O=C(O)c1ccc(-c2csc(NC3CCCC3)n2)cc1- InChIKey
CDLPKMYUMTVESV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09324893
Names & identifiers
- Preferred name
- 4-[2-(Cyclopentylamino)-1,3-thiazol-4-yl]benzoic acid
- IUPAC
- 4-[2-(cyclopentylamino)-1,3-thiazol-4-yl]benzoic acid
Names & synonyms
4-[2-(Cyclopentylamino)-1,3-thiazol-4-yl]benzoic acid860344-65-6SCHEMBL1473691DTXSID50733038CDLPKMYUMTVESV-UHFFFAOYSA-N4-(2-Cyclopentylamino-thiazol-4-yl)-benzoic acid
Database identifiers
- CAS
860344-65-6- PubChem CID
- 59807296
- DTXSID
DTXSID50733038
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
1 records
Compound notes
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