N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzamide
Basic information
- CAS
551903-11-8- Standard SMILES
Cc1nc(NC(=O)c2cccc(F)c2)sc1C- InChIKey
KXGNESQPDIZACN-UHFFFAOYSA-N- Molecular formula
- C12H11FN2OS
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.05761231
Names & identifiers
- Preferred name
- N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzamide
- IUPAC
- N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzamide
- English name
- Benzamide, N-(4,5-dimethyl-2-thiazolyl)-3-fluoro- (9CI)
- Molecular formula
- C12H11FN2OS
- Molecular weight
- 250.29
Names & synonyms
551903-11-8N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzamideDTXSID10405007AKOS002516904N-(4,5-dimethylthiazol-2-yl)-3-fluorobenzamideF2978-0009Benzamide, N-(4,5-dimethyl-2-thiazolyl)-3-fluoro-Benzamide, N-(4,5-dimethyl-2-thiazolyl)-3-fluoro- (9CI)
Database identifiers
- CAS
551903-11-8- PubChem CID
- 4623913
- DTXSID
DTXSID10405007
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 6.91 · 6.91±0.50(Predicted)
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Compound notes
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