Basic information
- Standard SMILES
COc1ccc2c(c1)sc1nc(N)nc(=Nc3ccccc3)n12- InChIKey
XNTOZBMKBYPUBH-UHFFFAOYSA-N- Molecular formula
- C16H13N5OS
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-8-methoxy-4-phenylimino-4H-1,3,5-triazino[2,1-b]benzothiazole
- IUPAC
- 8-methoxy-4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine
Names & synonyms
SCHEMBL10803686SCHEMBL10805067XNTOZBMKBYPUBH-UHFFFAOYSA-N2-Amino-8-methoxy-4-phenylimino-4H-1,3,5-triazino[2,1-b]benzothiazole
Database identifiers
- PubChem CID
- 20428309
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Compound notes
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