1,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-one

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Basic information

CAS: 13568-76-8
Standard SMILES: Cc1nn(C)c2c1NC(=O)CS2
InChIKey: TVNQKWOUDNXVBS-UHFFFAOYSA-N
Molecular formula: C7H9N3OS
Average molar mass: 183.23 g/mol
Monoisotopic mass: 183.04663309

Names & identifiers

Preferred name: 1,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-one
IUPAC: 1,3-dimethyl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one

Names & synonyms

13568-76-81,3-Dimethyl-1,4-dihydropyrazolo[3,4-b][1,4]thiazin-5(6H)-oneA61UU4R268NSC 144776NSC-1447761,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-oneUNII-A61UU4R268DTXSID90159490PYRAZOLO(3,4-B)(1,4)THIAZIN-5(6H)-ONE, 1,4-DIHYDRO-1,3-DIMETHYL-RefChem:72701DTXCID40819811,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-5-one

Show more names

1,3-dimethyl-4H-pyrazolo[3,4-b][1,4]thiazin-5-oneNSC144776MLS002920638CHEMBL2136428NAA56876AKOS024015395SMR001798225CS-0264521

Database identifiers

CAS: 13568-76-8
PubChem CID: 286495
DTXSID: DTXSID90159490
ChEMBL: CHEMBL2136428
UNII: A61UU4R268

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 211

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Compound notes

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