(4E)-4-(4-methyl-2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate
Basic information
- CAS
164534-34-3- Standard SMILES
CC1=NC(=[N+]2CCOCC2)S/C1=C1/C(=O)C(c2sc(N3CCOCC3)nc2C)=C1[O-]- InChIKey
JTMSICWTZWHBFN-UHFFFAOYSA-N- Molecular formula
- C20H22N4O4S2
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- (4E)-4-(4-methyl-2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate
- IUPAC
- (4E)-4-(4-methyl-2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate
- English name
- 1-(4-Methyl-2-morpholino-thiazol-5-yl)-3-(2,5-dihydro-4-methyl-2-morpholin-1-ylidene-onium-thiazol-5-ylidene)-2-oxo-cyclobuten-4-olate
- Molecular formula
- C20H22N4O4S2
- Molecular weight
- 446.55
Names & synonyms
164534-34-3(4E)-4-(4-methyl-2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)-2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3-oxocyclobuten-1-olate1-(4-Methyl-2-morpholino-thiazol-5-yl)-3-(2,5-dihydro-4-methyl-2-morpholin-1-ylidene-onium-thiazol-5-ylidene)-2-oxo-cyclobuten-4-olateDB-235129(4E)-4-[4-Methyl-2-(morpholin-4-ium-4-ylidene)-1,3-thiazol-5(2H)-ylidene]-2-[4-methyl-2-(4-morpholinyl)-1,3-thiazol-5-yl]-3-oxo-1-cyclobuten-1-olate
Database identifiers
- CAS
164534-34-3- Nikkaji
- J650.926F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 795
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…