Basic information
- CAS
3652-15-1- Standard SMILES
Cl.Nc1nnc(-c2ccnc3ccccc23)s1- InChIKey
MGOUCBIHUXOBLW-UHFFFAOYSA-N- Molecular formula
- C11H9ClN4S
- Average molar mass
- 264.73 g/mol
- Monoisotopic mass
- 264.0236452
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazol-2-amine, 5-(4-quinolinyl)-, hydrochloride (1:1)
- IUPAC
- 5-quinolin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride
Names & synonyms
Quinoline, 4-(2-amino-1,3,4-thiadiazol-5-yl)-, hydrochloride3652-15-1DTXSID80190019RefChem:1052526DTXCID401125101,3,4-Thiadiazol-2-amine, 5-(4-quinolinyl)-, hydrochloride (1:1)2-Amino-5-(4-quinolyl)-1,3,4-thiadiazole hydrochloride1,3,4-Thiadiazol-2-amine, 5-(3-quinolyl)-, hydrochloride5-(Quinolin-4-yl)-1,3,4-thiadiazol-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
3652-15-1- PubChem CID
- 199038
- DTXSID
DTXSID80190019
Properties
Computed structural properties
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…