1-(4-Methoxy-2-methylphenyl)-3-[4-(trifluoromethyl)-2-thiazolyl]urea
Basic information
- CAS
625118-40-3- Standard SMILES
COc1ccc(NC(=O)Nc2nc(C(F)(F)F)cs2)c(C)c1- InChIKey
KZYDDCDMACZURN-UHFFFAOYSA-N- Molecular formula
- C13H12F3N3O2S
- Average molar mass
- 331.32 g/mol
- Monoisotopic mass
- 331.06023229
Names & identifiers
- Preferred name
- 1-(4-Methoxy-2-methylphenyl)-3-[4-(trifluoromethyl)-2-thiazolyl]urea
- IUPAC
- 1-(4-methoxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
Names & synonyms
625118-40-31-(4-methoxy-2-methylphenyl)-3-[4-(trifluoromethyl)-2-thiazolyl]ureaSCHEMBL6376221DTXSID60469533KZYDDCDMACZURN-UHFFFAOYSA-Nn-(4-methoxy-2-methylphenyl)-n'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
Database identifiers
- CAS
625118-40-3- PubChem CID
- 11616904
- DTXSID
DTXSID60469533
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
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Compound notes
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