N-(4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
Basic information
- CAS
6285-25-2- Standard SMILES
CCn1c(=NC(=O)C=Cc2ccc([N+](=O)[O-])s2)sc2cccc(Cl)c21- InChIKey
NFBPELCGKQKDQS-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O3S2
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.0008613
Names & identifiers
- Preferred name
- N-(4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
- IUPAC
- N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
Names & synonyms
6285-25-2DTXSID30412218N-(4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamideF1381-2057(2E,NE)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)acrylamideN-[(2Z)-4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide
Database identifiers
- CAS
6285-25-2- PubChem CID
- 5236476
- DTXSID
DTXSID30412218
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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