3-Isothiazoleacetamide
Basic information
- CAS
10271-87-1- Standard SMILES
NC(=O)Cc1ccsn1- InChIKey
ADBZITNCVWIJSK-UHFFFAOYSA-N- Molecular formula
- C5H6N2OS
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.02008399
Names & identifiers
- Preferred name
- 3-Isothiazoleacetamide
- IUPAC
- 2-(1,2-thiazol-3-yl)acetamide
Names & synonyms
3-IsothiazoleacetamideSCHEMBL1259568SCHEMBL107249942-(1,2-thiazol-3-yl)acetamideDTXSID901314154AKOS00636143810271-87-1
Database identifiers
- CAS
10271-87-1- PubChem CID
- 20187089
- DTXSID
DTXSID901314154
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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