Basic information
- Standard SMILES
Nc1nc2c(s1)CCN(CC1=Cc3ccccc3C1)CC2- InChIKey
CRKSRIXONULYDA-UHFFFAOYSA-N- Molecular formula
- C17H19N3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.12996879
Names & identifiers
- Preferred name
- 2-Amino-6-(1H-inden-2-yl-methyl)-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine
- IUPAC
- 6-(1H-inden-2-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Names & synonyms
SCHEMBL7286246CRKSRIXONULYDA-UHFFFAOYSA-N2-Amino-6-(1H-inden-2-yl-methyl)-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine
Database identifiers
- PubChem CID
- 19985975
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
1 records
Compound notes
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