2-Methyl-N-4-pyridinyl-6-benzothiazolamine
Basic information
- CAS
35488-01-8- Standard SMILES
Cc1nc2ccc(Nc3ccncc3)cc2s1- InChIKey
XZZLVVYVUYGRKR-UHFFFAOYSA-N- Molecular formula
- C13H11N3S
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.06736854
Names & identifiers
- Preferred name
- 2-Methyl-N-4-pyridinyl-6-benzothiazolamine
- IUPAC
- 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-6-amine
Names & synonyms
35488-01-82-Methyl-N-4-pyridinyl-6-benzothiazolamineRefChem:2637232-methyl-N-4-pyridinyl-1,3-benzothiazol-6-amineMLS0006797802-methyl-N-pyridin-4-yl-1,3-benzothiazol-6-amineCHEMBL1409354DTXSID001265449HMS2765G17SMR000296611SR-01000298507SR-01000298507-1
Show more names
2-methyl-N-(pyridin-4-yl)-1,3-benzothiazol-6-amine
Database identifiers
- CAS
35488-01-8- PubChem CID
- 2235649
- DTXSID
DTXSID001265449- ChEMBL
CHEMBL1409354
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Solubility34.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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