Basic information
- CAS
139477-39-7- Standard SMILES
CCCc1nnc(N2C(=O)C(C)C(c3ccccc3)C2=O)s1- InChIKey
WBTJNTHZJDTGON-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- 3-Methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
- IUPAC
- 3-methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
Names & synonyms
139477-39-7DTXSID409304783-methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dioneRefChem:1068254DTXCID301359205BRN 48212563-Methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)-2,5-pyrrolidinedione2,5-Pyrrolidinedione, 3-methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)-
Database identifiers
- CAS
139477-39-7- PubChem CID
- 3071963
- DTXSID
DTXSID40930478- Nikkaji
- J426.604H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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