ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
Basic information
- CAS
52121-09-2- Standard SMILES
CCNC(=O)N=c1sc([N+](=O)[O-])cn1CC(=O)N(C)C(=O)OCC- InChIKey
LMZLGXWJUGZVJB-UHFFFAOYSA-N- Molecular formula
- C12H17N5O6S
- Average molar mass
- 359.36 g/mol
- Monoisotopic mass
- 359.08995445
Names & identifiers
- Preferred name
- ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
- IUPAC
- ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
Names & synonyms
52121-09-2ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamateDTXSID10313597Ethyl ({2-[(ethylcarbamoyl)imino]-5-nitro-1,3-thiazol-3(2H)-yl}acetyl)(methyl)carbamate
Database identifiers
- CAS
52121-09-2- PubChem CID
- 321522
- DTXSID
DTXSID10313597
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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