Basic information
- CAS
69463-59-8- Standard SMILES
Cc1nnc(NCC(=O)c2ccccc2)s1- InChIKey
ZJHDOYROHOPXHV-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.06228316
Names & identifiers
- Preferred name
- Ethanone, 2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenyl-
- IUPAC
- 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
Names & synonyms
2-(Phenacylamino)-5-methyl-1,3,4-thiadiazoleEthanone, 2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenyl-69463-59-8DTXSID90219629RefChem:341346DTXCID90142120CHEMBL5094989SCHEMBL225829162-[(5-Methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethan-1-one
Database identifiers
- CAS
69463-59-8- PubChem CID
- 3053005
- DTXSID
DTXSID90219629- ChEMBL
CHEMBL5094989
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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