Basic information
- Standard SMILES
Nc1nc2c(s1)CCN(CC=Cc1ccoc1)CC2- InChIKey
KWYXJHIWXKWOHB-UHFFFAOYSA-N- Molecular formula
- C14H17N3OS
- Average molar mass
- 275.37 g/mol
- Monoisotopic mass
- 275.10923335
Names & identifiers
- Preferred name
- 2-Amino-6-(3-(3-furyl)allyl)-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine
- IUPAC
- 6-[3-(furan-3-yl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Names & synonyms
SCHEMBL7292597KWYXJHIWXKWOHB-UHFFFAOYSA-N2-Amino-6-(3-(3-furyl)allyl)-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine
Database identifiers
- PubChem CID
- 54018043
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
1 records
Compound notes
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