4-Aminothiazole-5-carboxylic acid
Basic information
- CAS
1353101-89-9- Standard SMILES
Nc1ncsc1C(=O)O- InChIKey
PSHKDNUXHXEYDT-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2S
- Average molar mass
- 144.15 g/mol
- Monoisotopic mass
- 143.99934855
Names & identifiers
- Preferred name
- 4-Aminothiazole-5-carboxylic acid
- IUPAC
- 4-amino-1,3-thiazole-5-carboxylic acid
- English name
- 5-Thiazolecarboxylic acid, 4-aMino-
- Molecular formula
- C4H4N2O2S
- Molecular weight
- 144.15
Names & synonyms
4-Aminothiazole-5-carboxylic acid1353101-89-94-amino-1,3-thiazole-5-carboxylic acid4-Amino-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 4-aMino-4-Aminothiazole-5-carboxylicacidSCHEMBL27555407DTXSID501299156EN300-146172
Database identifiers
- CAS
1353101-89-9- PubChem CID
- 83671773
- DTXSID
DTXSID501299156
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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Compound notes
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