N,N-Dimethyl-5-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-amine

HCID 71374530

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Basic information

CAS: 688328-59-8
Standard SMILES: CN(C)c1ccc(C=Cc2nc3ccc([N+](=O)[O-])cc3s2)o1
InChIKey: HXVWVKKHEKNGNG-UHFFFAOYSA-N
Molecular formula: C15H13N3O3S
Average molar mass: 315.3 g/mol
Monoisotopic mass: 315.06776246

Names & identifiers

Preferred name: N,N-Dimethyl-5-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-amine
IUPAC: N,N-dimethyl-5-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-amine

Names & synonyms

688328-59-8N,N-Dimethyl-5-[2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-amineDTXSID40797306N,N-Dimethyl-5-[2-(6-nitro-1,3-benzothiazol-2-yl)ethen-1-yl]furan-2-amine

Database identifiers

CAS: 688328-59-8
PubChem CID: 71374530
DTXSID: DTXSID40797306

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 103 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 440

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