2-Acetylamino-4-methyl-thiazole-5-carboxylic acid
Basic information
- CAS
63788-62-5- Standard SMILES
CC(=O)Nc1nc(C)c(C(=O)O)s1- InChIKey
QNBIYKNODXVOFV-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3S
- Average molar mass
- 200.22 g/mol
- Monoisotopic mass
- 200.0255633
Names & identifiers
- Preferred name
- 2-Acetylamino-4-methyl-thiazole-5-carboxylic acid
- IUPAC
- 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid
- English name
- 2-Acetylamino-4-methyl-thiazole-5-carboxylic acid
- Molecular formula
- C7H8N2O3S
- Molecular weight
- 200.21
Names & synonyms
63788-62-52-Acetylamino-4-methyl-thiazole-5-carboxylic acidDTXSID20357644RefChem:255098DTXCID103087012-Acetylamino-4-methylthiazole-5-carboxylic acid2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid2-acetamido-4-methylthiazole-5-carboxylic acidBAS 06262725MFCD005484462-Acetylamino-4-methylthiazole-5-carboxylicacidOprea1_696777
Show more names
5-Thiazolecarboxylic acid, 2-(acetylamino)-4-methyl-
SCHEMBL35852092-Acetylamino-4-methylthiazole-5-AKOS000111566DS-14499SY106889DB-000709CS-01865272-acetamido-4-methyl-thiazole-5-carboxylic acid
Database identifiers
- CAS
63788-62-5- PubChem CID
- 856840
- DTXSID
DTXSID20357644
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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