Basic information
- Standard SMILES
COC(=O)Nc1nc2c(s1)C(=O)CCC2- InChIKey
QWWSJJHWYLJAGF-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3S
- Average molar mass
- 226.25 g/mol
Names & identifiers
- Preferred name
- Methyl (7-oxo-4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamate
- IUPAC
- methyl N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)carbamate
Names & synonyms
SCHEMBL1118025QWWSJJHWYLJAGF-UHFFFAOYSA-NDB-187987Methyl (7-oxo-4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamateMethyl 4,5,6,7-tetrahydro-7-oxobenzo[d]thiazol-2-ylcarbamate883864-78-6
Database identifiers
- PubChem CID
- 59703189
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
3 records
Compound notes
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