Summary

IMPPAT Phytochemical identifier: IMPHY016626

Phytochemical name: 2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole

Synonymous chemical names:
dmnt

External chemical identifiers:
CID:92248, ChEMBL:CHEMBL313879, FDASRS:52EWZ23A94

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Chemical structure information

SMILES:
CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C

InChI:
InChI=1S/C9H10N4O3S/c1-12(2)11-9-10-6(5-17-9)7-3-4-8(16-7)13(14)15/h3-5H,1-2H3,(H,10,11)

InChIKey:
QXSIYYQGSPCIHN-UHFFFAOYSA-N

DeepSMILES:
CNNcsccn5)cccco5)[N+]=O)[O-])))))))))))C

Functional groups:
cNN(C)C, c[N+](=O)[O-], cnc, coc, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(-c2cscn2)c1

Scaffold Graph/Node level:
C1COC(C2CSCN2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furans

ClassyFire Subclass: Nitrofurans

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -2.045

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Chemical structure download