2-(Pyrimidin-4-yl)benzo[d]thiazole
Basic information
- CAS
99867-06-8- Standard SMILES
c1ccc2sc(-c3ccncn3)nc2c1- InChIKey
JHOYIPRFLVMLCC-UHFFFAOYSA-N- Molecular formula
- C11H7N3S
- Average molar mass
- 213.26 g/mol
Names & identifiers
- Preferred name
- 2-(Pyrimidin-4-yl)benzo[d]thiazole
- IUPAC
- 2-pyrimidin-4-yl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(4-pyrimidinyl)- (6CI)
- Molecular formula
- C11H7N3S
- Molecular weight
- 213.25838
Names & synonyms
2-(pyrimidin-4-yl)benzo[d]thiazole99867-06-82-(4-Pyrimidinyl)-1,3-benzothiazoleSCHEMBL5446556BENZOTHIAZOLE, 2-(4-PYRIMIDINYL)-DB-2747332-pyrimidin-4-yl-benzothiazoleBenzothiazole, 2-(4-pyrimidinyl)- (6CI)
Database identifiers
- CAS
99867-06-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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