Basic information
- CAS
53865-72-8- Standard SMILES
Cc1nc2c(s1)c(C)nn2-c1ccccc1- InChIKey
YNJNWHQPVXADSV-UHFFFAOYSA-N- Molecular formula
- C12H11N3S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.06736854
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1-phenyl-1H-pyrazolo[3,4-d]thiazole
- IUPAC
- 3,5-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole
Names & synonyms
53865-72-83,5-Dimethyl-1-phenyl-1H-pyrazolo[3,4-d]thiazole3,5-dimethyl-1-phenylpyrazolo[3,4-d][1,3]thiazole1H-Pyrazolo[3,4-d]thiazole, 3,5-dimethyl-1-phenyl-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLO[3,4-D][1,3]THIAZOLECHEMBL5008856DTXSID40403490HMS3431L08AKOS021675044CCG-1233913,5-dimethyl-1-phenylpyrazolo[3,4-d]thiazoleAE-848/32608003
Show more names
AH-034/11964022
Database identifiers
- CAS
53865-72-8- PubChem CID
- 4458034
- DTXSID
DTXSID40403490- ChEMBL
CHEMBL5008856
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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