4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Basic information
- CAS
574707-94-1- Standard SMILES
CC(C)(C)C1CCC(C(=O)Nc2nccs2)CC1- InChIKey
RWZBMBKXQPUQBP-UHFFFAOYSA-N- Molecular formula
- C14H22N2OS
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.1452845
Names & identifiers
- Preferred name
- 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
- IUPAC
- 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Names & synonyms
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamideZINC1055264574707-94-1MLS001185518CHEMBL1400782DTXSID601330379HMS2825P14MFCD00610074STK026661ZINC01055264AKOS003365283SMR000502122
Show more names
O=C(C1CCC(CC1)C(C)(C)C)Nc1nccs1ZINC000001055264ST50939310CC(C)(C)C1CCC(CC1)C(=O)NC2=NC=CS2SR-01000292165SR-01000292165-14TERTBUTYLN(13THIAZOL2YL)CYCLOHEXANECARBOXAMIDEZ28173865
Database identifiers
- CAS
574707-94-1- PubChem CID
- 1246597
- DTXSID
DTXSID601330379- ChEMBL
CHEMBL1400782
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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