1-Piperidinamine,N-[[2-(5-nitro-2-thienyl)-4-thiazolyl]methylene]-
Basic information
- CAS
31898-46-1- Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(C=NN3CCCCC3)cs2)s1- InChIKey
AUPXNTKSQROOGH-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2S2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.05581805
Names & identifiers
- Preferred name
- 1-Piperidinamine,N-[[2-(5-nitro-2-thienyl)-4-thiazolyl]methylene]-
- IUPAC
- 1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine
Names & synonyms
DTXSID90953819DS-0031691-[2-(5-Nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-(piperidin-1-yl)methanimine1-PIPERIDINAMINE,N-[[2-(5-NITRO-2-THIENYL)-4-THIAZOLYL]METHYLENE]-
Database identifiers
- CAS
31898-46-1- PubChem CID
- 100467
- DTXSID
DTXSID90953819
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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