Basic information
- CAS
6072-73-7- Standard SMILES
CC1=NN(c2nc(-c3cc4ccccc4[nH]3)cs2)C(=O)C1C- InChIKey
SBNRZEJIABEAGD-UHFFFAOYSA-N- Molecular formula
- C16H14N4OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.08883226
Names & identifiers
- Preferred name
- 2-[4-(1H-indol-2-yl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
- IUPAC
- 2-[4-(1H-indol-2-yl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
Names & synonyms
6072-73-72-[4-(1H-indol-2-yl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one2-[4-(1H-Indol-2-yl)-1,3-thiazol-2-yl]-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-oneCBMicro_048927DTXSID10417448BIM-0048707.P001
Database identifiers
- CAS
6072-73-7- PubChem CID
- 5347757
- DTXSID
DTXSID10417448
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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