Basic information
- Standard SMILES
C#CCON=C(C(=O)O)c1csc(N)n1- InChIKey
UUHYXGRSWMTMPP-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3S
- Average molar mass
- 225.23 g/mol
- Monoisotopic mass
- 225.02081227
Names & identifiers
- Preferred name
- 2-(2-Aminothiazol-4-yl)-2-propargyloxyiminoacetic acid
- IUPAC
- 2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetic acid
Names & synonyms
SCHEMBL9877736UUHYXGRSWMTMPP-UHFFFAOYSA-N2-(2-aminothiazol-4-yl)-2-propargyloxyiminoacetic acid2-(2-propynyloxyimino)-2-(2-aminothiazol-4-yl)acetic acid2-(2-Propynyloxyimino)-2-(2-aminothiazol-4-yl)-acetic acid2-(2-Propynyl)oxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
Database identifiers
- PubChem CID
- 54372682
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Related reactions
40 records
Compound notes
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