Basic information
- Standard SMILES
CC(=O)OCCNC(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1- InChIKey
LYQQLLHDYLYABY-UHFFFAOYSA-N- Molecular formula
- C14H18N6O4S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.11102425
Names & identifiers
- Preferred name
- 4-[5-{3-(2-Acetoxyethyl)ureido}methylfuran-2-yl]-2-(diaminomethyleneamino)thiazole
- IUPAC
- 2-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methylcarbamoylamino]ethyl acetate
Names & synonyms
SCHEMBL9292708LYQQLLHDYLYABY-UHFFFAOYSA-N4-[5-{3-(2-acetoxyethyl)ureido}methylfuran-2-yl]-2-(diaminomethyleneamino)thiazole
Database identifiers
- PubChem CID
- 10021797
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
1 records
Compound notes
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