Basic information
- CAS
1326942-99-7- Standard SMILES
COc1cccc(Nc2nnc(CC(=O)n3nc(C)cc3C)s2)c1- InChIKey
AMFFRHOWZXIAJY-UHFFFAOYSA-N- Molecular formula
- C16H17N5O2S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.11029598
Names & identifiers
- Preferred name
- 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]ethanone
- IUPAC
- 1-(3,5-dimethylpyrazol-1-yl)-2-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]ethanone
Names & synonyms
DTXSID601119519AKOS0057449951-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]ethanone1326942-99-71-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]ethan-1-one
Database identifiers
- CAS
1326942-99-7- PubChem CID
- 53337795
- DTXSID
DTXSID601119519
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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