N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Basic information
- CAS
313385-95-4- Standard SMILES
O=C(Nc1nncs1)c1ccc2c(c1)OCO2- InChIKey
SDRUQVTXGSYNTD-UHFFFAOYSA-N- Molecular formula
- C10H7N3O3S
- Average molar mass
- 249.25 g/mol
- Monoisotopic mass
- 249.02081227
Names & identifiers
- Preferred name
- N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Names & synonyms
N-(1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide313385-95-4N-(1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamideCDS1_004519CBMicro_030183Oprea1_348583MLS001222406DivK1c_005559CHEMBL226265DTXSID301330556HMS2893N21Benzo[1,3]dioxole-5-carboxylic acid [1,3,4]thiadiazol-2-ylamide
Show more names
STK050403AKOS000649038SMR000611555BIM-0030237.P001AK-968/11988135Z86416930
Database identifiers
- CAS
313385-95-4- PubChem CID
- 847129
- DTXSID
DTXSID301330556- ChEMBL
CHEMBL226265
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Solubility37.2 [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…