N-[5-(5-Nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetamide
Basic information
- CAS
2578-75-8- Standard SMILES
CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1- InChIKey
KGVQFUIYBAPYSK-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4S
- Average molar mass
- 254.23 g/mol
- Monoisotopic mass
- 254.01097586
Names & identifiers
- Preferred name
- N-[5-(5-Nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetamide
- IUPAC
- N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
- English name
- 1,3,4-Thiadiazole, 2-acetamido-5- (5-nitro-2-furyl)-
- Molecular formula
- C8H6N4O4S
- Molecular weight
- 254.22
Names & synonyms
C 132Furothiazole (the bactericide)CCRIS 1194WTX9WQ5N4DC 132 (VAN)NSC 523298BRN 1084382N-(5-(5-Nitro-2-furyl)-1,3,4-thiadiazol-2-yl)acetamideUNII-WTX9WQ5N4DNSC-523298N-[5-(5-Nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetamideDTXSID9020950
Show more names
1,3,4-Thiadiazole, 2-acetamido-5- (5-nitro-2-furyl)-N-[5-(5-Nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]acetamideAcetamide, N-[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]-
ACETAMIDE, N-(5-(5-NITRO-2-FURYL)-1,3,4-THIADIAZOL-2-YL)-NITRO-2-FURANYL)-1,3,4-THIADIAZOL-2-YL)ACETAMIDE, N-(5-(5-RefChem:202021DTXCID909502578-75-8N-(5-(5-Nitro-2-furanyl)-1,3,4-thiadiazol-2-yl)acetamideN-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide1,3,4-Thiadiazole, 2-acetamido-5-(5-nitro-2-furyl)-
Database identifiers
- CAS
2578-75-8- PubChem CID
- 17405
- DTXSID
DTXSID9020950- ChEMBL
CHEMBL260123- UNII
- WTX9WQ5N4D
- Nikkaji
- J3.710I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 320 °C · 320 °C (decomp)
- Boiling point
- 120.9 °C · 120.9°C (rough estimate)
- Density
- 1.6348 · 1.6348 (rough estimate)
- refractive index
- 1.627 · 1.6270 (estimate)
- pka
- 9.27 · 9.27±0.50(Predicted)
- FDA UNII
- 9 WQ5N4D · WTX9WQ5N4D
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Compound notes
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