Basic information
- CAS
499240-80-1- Standard SMILES
CN(C)C=Nc1ncc(C(=O)O)s1- InChIKey
VWKSOJKUMZIQPK-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S
- Average molar mass
- 199.23 g/mol
Names & identifiers
- Preferred name
- 2-{[(1E)-(Dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylic Acid
- IUPAC
- 2-(dimethylaminomethylideneamino)-1,3-thiazole-5-carboxylic acid
- English name
- 5-Thiazolecarboxylicacid,2-[[(dimethylamino)methylene]amino]-(9CI)
- Molecular formula
- C7H9N3O2S
- Molecular weight
- 199.23
Names & synonyms
SCHEMBL5357915SCHEMBL5357917VWKSOJKUMZIQPK-RUDMXATFSA-NDS-0163262-[[(Dimethylamino)methylene]amino]-5-thiazolecarboxylic acid2-{[(1E)-(Dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylic Acid5-Thiazolecarboxylic acid, 2-[[(dimethylamino)methylene]amino]-5-Thiazolecarboxylicacid,2-[[(dimethylamino)methylene]amino]-(9CI)
Database identifiers
- CAS
499240-80-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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