Basic information
- CAS
58139-53-0- Standard SMILES
CC(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1- InChIKey
ZADHMFULSQPYAC-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3S2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 268.99288344
Names & identifiers
- Preferred name
- Acetamide, N-(4-(4-nitro-2-thienyl)-2-thiazolyl)-
- IUPAC
- N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
- English name
- N-[4-(4-Nitro-2-thienyl)-2-thiazolyl]acetamide
- Molecular formula
- C9H7N3O3S2
- Molecular weight
- 269.3
Names & synonyms
58139-53-0N-[4-(4-Nitro-2-thienyl)-2-thiazolyl]acetamideACETAMIDE, N-(4-(4-NITRO-2-THIENYL)-2-THIAZOLYL)-N-(4-(4-Nitro-2-thienyl)-2-thiazolyl)acetamide2-Acetylamino-4-(4-nitro-2-thienyl)thiazoleDTXSID70206875Acetamide, N-[4-(4-nitro-2-thienyl)-2-thiazolyl]-RefChem:315329DTXCID00129366N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamideN-(4-(4-nitrothiophen-2-yl)thiazol-2-yl)acetamide3BT7J6J7TM
Show more names
Oprea1_482488MLS000683117F0466-0210CHEMBL1483148HMS2701B23AKOS024578179NCGC00246604-01SMR000322948
Database identifiers
- CAS
58139-53-0- PubChem CID
- 42650
- DTXSID
DTXSID70206875- ChEMBL
CHEMBL1483148- UNII
- 3BT7J6J7TM
- Nikkaji
- J73.496I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…