4-(5-Nitro-2-furanyl)-N-phenyl-2-thiazolamine
Basic information
- CAS
51728-02-0- Standard SMILES
O=[N+]([O-])c1ccc(-c2csc(Nc3ccccc3)n2)o1- InChIKey
PUJLVFVPARLGGR-UHFFFAOYSA-N- Molecular formula
- C13H9N3O3S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.03646233
Names & identifiers
- Preferred name
- 4-(5-Nitro-2-furanyl)-N-phenyl-2-thiazolamine
- IUPAC
- 4-(5-nitrofuran-2-yl)-N-phenyl-1,3-thiazol-2-amine
- English name
- N-(4-(5-Nitro-2-furyl-2-thiazolyl)phenylamine
- Molecular formula
- C13H9N3O3S
- Molecular weight
- 287.29
Names & synonyms
4-(5-Nitro-2-furanyl)-N-phenyl-2-thiazolamine51728-02-02-Thiazolamine, 4-(5-nitro-2-furanyl)-N-phenyl-Thiazole, 2-anilino-4-(5-nitro-2-furyl)-2-Anilino-4-(5-nitro-2-furyl)thiazole4-(5-nitrofuran-2-yl)-N-phenyl-1,3-thiazol-2-amine5EY3A9M7LHNSC-523283CCRIS 1193NSC 523283BRN 0551597N-(4-(5-Nitro-2-furyl)-2-thiazolyl)phenylamine
Show more names
N-(4-(5-Nitro-2-furyl-2-thiazolyl)phenylamine
NSC523283UNII-5EY3A9M7LHOprea1_015285DTXSID30199673NITRO-2-FURANYL)- N-PHENYL-2-THIAZOLAMINE, 4-(5-
Database identifiers
- CAS
51728-02-0- PubChem CID
- 101467
- DTXSID
DTXSID30199673- UNII
- 5EY3A9M7LH
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 141 · 141-143 °C
- Boiling point
- 473.3 · 473.3±55.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.10(Predicted)
- FDA UNII
- 5 EY3A9M7LH · 5EY3A9M7LH
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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