Basic information
- CAS
84249-74-1- Standard SMILES
S=c1oc(-c2ccncc2)nn1CNc1ccccc1- InChIKey
ILZNZLJXRVKFNZ-UHFFFAOYSA-N- Molecular formula
- C14H12N4OS
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.07318219
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-
- IUPAC
- 3-(anilinomethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Names & synonyms
84249-74-1BRN 55890301,3,4-Oxadiazole-2(3H)-thione, 3-((phenylamino)methyl)-5-(4-pyridinyl)-DTXSID702331613-((Phenylamino)methyl)-5-(4-pyridinyl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:216937DTXCID701556523-((Phenylamino)methyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione3-[(phenylamino)methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3h)-thione3-(anilinomethyl)-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione3-(Anilinomethyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione3-[(Phenylamino)methyl]-5-(4-pyridyl)-1,3,4-oxadiazoline-2-thione
Database identifiers
- CAS
84249-74-1- PubChem CID
- 487667
- DTXSID
DTXSID70233161
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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