Basic information
- Standard SMILES
C1=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CCNC1- InChIKey
LJJXAVICOZQCDB-UHFFFAOYSA-N- Molecular formula
- C18H16N6S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.11571571
Names & identifiers
- Preferred name
- N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine
- IUPAC
- N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine
Names & synonyms
SCHEMBL5005669
Database identifiers
- PubChem CID
- 58709796
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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