1-[2-(4-Fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
Basic information
- CAS
952183-69-6- Standard SMILES
CC(=O)c1sc(Nc2ccc(F)cc2)nc1C- InChIKey
NFQOLFFPQZMWSH-UHFFFAOYSA-N- Molecular formula
- C12H11FN2OS
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.05761231
Names & identifiers
- Preferred name
- 1-[2-(4-Fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
- IUPAC
- 1-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
- English name
- 5-Acetyl-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole
- Molecular formula
- C12H11FN2OS
- Molecular weight
- 250.29
Names & synonyms
952183-69-61-[2-(4-Fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-1-ethanone1-(2-((4-Fluorophenyl)amino)-4-methylthiazol-5-yl)ethanone5-Acetyl-2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazole1-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanoneMFCD018048341-(2-((4-Fluorophenyl)amino)-4-methylthiazol-5-yl)ethan-1-one1-[2-(4-Fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one1-{2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}ethan-1-oneDTXSID801193634SBB100757AKOS005072434
Show more names
1-(2-((4-fluorophenyl) amino)4-methylthiazol-5-yl)ethan-1-oneEthanone, 1-[2-[(4-fluorophenyl)amino]-4-methyl-5-thiazolyl]-
EB-0720FF168859CS-0325637F3414381-[2-(4-fluoroanilino)-4-methyl-thiazol-5-yl]ethanone1-[2-[(4-Fluorophenyl)amino]-4-methyl-5-thiazolyl]ethanone1-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-1-ethanone, 95%
Database identifiers
- CAS
952183-69-6- PubChem CID
- 963379
- DTXSID
DTXSID801193634
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 165 · 165-167
- Boiling point
- 381.4 · 381.4±52.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 2.58 · 2.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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