Basic information
- CAS
21457-24-9- Standard SMILES
Br.CC1=CSC2=NC(C)(O)CC3(CCCCC3)N12- InChIKey
MXYDLSZUMOMXSK-UHFFFAOYSA-N- Molecular formula
- C13H21BrN2OS
- Average molar mass
- 333.29 g/mol
- Monoisotopic mass
- 332.0558
Names & identifiers
- Preferred name
- Spiro(cyclohexane-1,5'-(5H)thiazolo(3,2-a)pyrimidin)-7'-ol, 6',7'-dihydro-3',7'-dimethyl-, monohydrobromide
- IUPAC
- 3,7-dimethylspiro[6H-[1,3]thiazolo[3,2-a]pyrimidine-5,1'-cyclohexane]-7-ol;hydrobromide
Names & synonyms
21457-24-96',7'-Dihydro-3',7'-dimethylspiro(cyclohexane-1,5'-(5H)thiazolo(3,2-a)pyrimidin)-7'-ol HBrSpiro(cyclohexane-1,5'-(5H)thiazolo(3,2-a)pyrimidin)-7'-ol, 6',7'-dihydro-3',7'-dimethyl-, monohydrobromideRefChem:381040DTXSID009440563',7'-Dimethyl-6',7'-dihydrospiro[cyclohexane-1,5'-[1,3]thiazolo[3,2-a]pyrimidin]-7'-ol--hydrogen bromide (1/1)
Database identifiers
- CAS
21457-24-9- PubChem CID
- 210645
- DTXSID
DTXSID00944056
Properties
Computed structural properties
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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