[4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
Basic information
- CAS
5840-36-8- Standard SMILES
CC(=O)NC1=NN(C(C)=O)C(c2ccc(OC(C)=O)cc2)S1- InChIKey
FBJKTMYERRLWNM-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4S
- Average molar mass
- 321.35 g/mol
- Monoisotopic mass
- 321.07832714
Names & identifiers
- Preferred name
- [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
- IUPAC
- [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
Names & synonyms
5840-36-84-[3-acetyl-5-(acetylamino)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl acetate[4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetateCBMicro_0171004-(5-Acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl acetateDTXSID30386768CCG-13250STK386736AKOS000573512AKOS022061817BIM-0017105.P001AG-690/13152024
Show more names
SR-01000422914SR-01000422914-1
Database identifiers
- CAS
5840-36-8- PubChem CID
- 2872018
- DTXSID
DTXSID30386768
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
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Related reactions
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Compound notes
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