Basic information
- CAS
22131-65-3- Standard SMILES
Cc1nsc(Cl)c1C(=O)OCCCN1CCN(C)CC1- InChIKey
CDPQBPCIYSCKCQ-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O2S
- Average molar mass
- 317.84 g/mol
- Monoisotopic mass
- 317.0964758
Names & identifiers
- Preferred name
- 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester
- IUPAC
- 3-(4-methylpiperazin-1-yl)propyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Names & synonyms
4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester22131-65-3DTXSID301766615-Chloro-3-methyl-4-isothiazolecarboxylic acid 3-(4-methyl-1-piperazinyl)propyl esterRefChem:293678DTXCID00991523-(4-methylpiperazin-1-yl)propyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Database identifiers
- CAS
22131-65-3- PubChem CID
- 30950
- DTXSID
DTXSID30176661
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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