Basic information
- Standard SMILES
CN=C1SC2Cc3cc(C#N)ccc3C2(O)N1C- InChIKey
QAKPAKMKTXJXHU-UHFFFAOYSA-N- Molecular formula
- C13H13N3OS
- Average molar mass
- 259.33 g/mol
- Monoisotopic mass
- 259.07793322
Names & identifiers
- Preferred name
- 3a-hydroxy-3-methyl-2-methylimino-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]thiazole-6-carbonitrile
- IUPAC
- 8b-hydroxy-1-methyl-2-methylimino-3a,4-dihydroindeno[1,2-d][1,3]thiazole-6-carbonitrile
Names & synonyms
SCHEMBL6206333SCHEMBL6206335QAKPAKMKTXJXHU-UHFFFAOYSA-N3a-hydroxy-3-methyl-2-methylimino-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]thiazole-6-carbonitrile
Database identifiers
- PubChem CID
- 22119048
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 443
Related reactions
1 records
Compound notes
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