Basic information
- CAS
42013-24-1- Standard SMILES
CCN(CC)CC(=O)Nc1snc(C)c1C(=O)O- InChIKey
RXBBINZVRXHMLW-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3S
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.09906259
Names & identifiers
- Preferred name
- 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
- IUPAC
- 5-[[2-(diethylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
Names & synonyms
4-ISOTHIAZOLECARBOXYLIC ACID, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3-METHYL-42013-24-1DTXSID20194819RefChem:1072296DTXCID101173105-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acidBRN 11335645-(2-(Diethylamino)acetamido)-3-methyl-4-isothiazolecarboxylic acid5-[(N,N-diethylglycyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
Database identifiers
- CAS
42013-24-1- PubChem CID
- 39079
- DTXSID
DTXSID20194819
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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