Summary

IMPPAT Phytochemical identifier: IMPHY017509

Phytochemical name: 5-Methoxythiazole

Synonymous chemical names:
thiazole,5-methoxy, thiazole,5-methoxy-

External chemical identifiers:
CID:575308, SureChEMBL:SCHEMBL449393

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Chemical structure information

SMILES:
COc1cncs1

InChI:
InChI=1S/C4H5NOS/c1-6-4-2-5-3-7-4/h2-3H,1H3

InChIKey:
ASOREQWGEDVBSR-UHFFFAOYSA-N

DeepSMILES:
COccncs5

Functional groups:
cOC, cnc, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cscn1

Scaffold Graph/Node level:
C1CSCN1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.798

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Chemical structure download