5H-Thiazolo(3,2-a)pyrimidin-7-ol, 6,7-dihydro-3-ethyl-2,5,5,7-tetramethyl-, monohydrobromide

HCID 210646

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Basic information

CAS: 21457-29-4
Standard SMILES: Br.CCC1=C(C)SC2=NC(C)(O)CC(C)(C)N21
InChIKey: VAFPLEOTZGQIRF-UHFFFAOYSA-N
Molecular formula: C12H21BrN2OS
Average molar mass: 321.28 g/mol
Monoisotopic mass: 320.0558

Names & identifiers

Preferred name: 5H-Thiazolo(3,2-a)pyrimidin-7-ol, 6,7-dihydro-3-ethyl-2,5,5,7-tetramethyl-, monohydrobromide
IUPAC: 3-ethyl-2,5,5,7-tetramethyl-6H-[1,3]thiazolo[3,2-a]pyrimidin-7-ol;hydrobromide

Names & synonyms

21457-29-46,7-Dihydro-3-ethyl-2,5,5,7-tetramethyl-5H-thiazolo(3,2-a)pyrimidin-7-ol hydrobromide5H-Thiazolo(3,2-a)pyrimidin-7-ol, 6,7-dihydro-3-ethyl-2,5,5,7-tetramethyl-, monohydrobromideRefChem:305873DTXSID609440573-Ethyl-2,5,5,7-tetramethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ol--hydrogen bromide (1/1)

Database identifiers

CAS: 21457-29-4
PubChem CID: 210646
DTXSID: DTXSID60944057

Properties

Computed structural properties

Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 386

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