Propanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(diethylamino)-, monohydrochloride
Basic information
- CAS
154663-30-6- Standard SMILES
CCN(CC)CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1.Cl- InChIKey
FZMBAGABMSHXEW-UHFFFAOYSA-N- Molecular formula
- C16H21ClN4O3S
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1022894
Names & identifiers
- Preferred name
- Propanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(diethylamino)-, monohydrochloride
- IUPAC
- N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(diethylamino)propanamide;hydrochloride
Names & synonyms
154663-30-6Propanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(diethylamino)-, monohydrochlorideDTXSID10165694RefChem:374230DTXCID4088185N-[5-(2H-1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~3~,N~3~-diethyl-beta-alaninamide--hydrogen chloride (1/1)
Database identifiers
- CAS
154663-30-6- PubChem CID
- 3074045
- DTXSID
DTXSID10165694
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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