1-Piperidinepropanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride
Basic information
- CAS
154663-27-1- Standard SMILES
Cl.O=C(CCN1CCCCC1)Nc1nnc(-c2ccc3c(c2)OCO3)s1- InChIKey
PVXYFECTOMSMPB-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4O3S
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1022894
Names & identifiers
- Preferred name
- 1-Piperidinepropanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride
- IUPAC
- N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide;hydrochloride
Names & synonyms
1-Piperidinepropanamide, N-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride154663-27-1DTXSID90165692RefChem:234407DTXCID4088183N-[5-(2H-1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(piperidin-1-yl)propanamide--hydrogen chloride (1/1)
Database identifiers
- CAS
154663-27-1- PubChem CID
- 3074041
- DTXSID
DTXSID90165692
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
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Related reactions
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Compound notes
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