Basic information
- Standard SMILES
Nc1nc2c(s1)CCNCC2- InChIKey
HJMYDEARHJTQRX-UHFFFAOYSA-N- Molecular formula
- C7H11N3S
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.06736854
Names & identifiers
- Preferred name
- 2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine
- IUPAC
- 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine
Names & synonyms
86029-68-72-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine5,6,7,8-Tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine4H-Thiazolo[4,5-d]azepin-2-amine, 5,6,7,8-tetrahydro-4H,5H,6H,7H,8H-[1,3]THIAZOLO[4,5-D]AZEPIN-2-AMINESCHEMBL3303542SCHEMBL3307726HJMYDEARHJTQRX-UHFFFAOYSA-NAKOS006284802AB31218DB-107248
Show more names
CS-0139710EN300-64280562-amino-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine2-amino-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine2-amino-4,5,7,8-tetrahydro-6 H-thiazolo[5,4-d]azepine2-amino-4,5,7,8-tetrahydro-6H- thiazolo[5,4-d]azepine2-amino-4,5,7,8-tetrahydro-6H-thiazolo-[5,4-d]azepine5,6,7,8-Tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl-amine
Database identifiers
- PubChem CID
- 19985785
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
47 records
Compound notes
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