2-(2-nitrophenoxy)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Basic information
- CAS
307544-98-5- Standard SMILES
CC(C)c1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1- InChIKey
IRBVLLMADVJVLC-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.07357611
Names & identifiers
- Preferred name
- 2-(2-nitrophenoxy)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
- IUPAC
- 2-(2-nitrophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
Names & synonyms
307544-98-52-(2-nitrophenoxy)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide2-(2-nitrophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamideN-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(2-nitrophenoxy)acetamideF3097-1990N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(2-nitro-phenoxy)-acetamideOprea1_331424Oprea1_730814MLS000780155CHEMBL1573986SCHEMBL10016466DTXSID601330517
Show more names
HMS2812O05SMSSF-0053242STK949054AKOS002276324SMR000420338ST50187969VU0341385-2N-(5-isopropyl-1,3,4-thiadiazol-2-yl)(o-nitrophenoxy)acetamide
Database identifiers
- CAS
307544-98-5- PubChem CID
- 729856
- DTXSID
DTXSID601330517- ChEMBL
CHEMBL1573986
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility11.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…