Basic information
- CAS
79571-44-1- Standard SMILES
COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1- InChIKey
JEJYRYMGASNUHY-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4S
- Average molar mass
- 317.32 g/mol
- Monoisotopic mass
- 317.04702701
Names & identifiers
- Preferred name
- N-(2-methoxyphenyl)-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
- IUPAC
- N-(2-methoxyphenyl)-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
Names & synonyms
79571-44-1NSC353719N-(2-methoxyphenyl)-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amineDTXSID70320020N-(2-METHOXYPHENYL)-4-(5-NITRO-2-FURYL)-1,3-THIAZOL-2-AMINENSC-353719N-(2-methoxyphenyl)-4-(5-nitro-2-furyl)thiazol-2-amine
Database identifiers
- CAS
79571-44-1- PubChem CID
- 337078
- DTXSID
DTXSID70320020
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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