Summary

IMPPAT Phytochemical identifier: IMPHY016456

Phytochemical name: 5-Methyl-1,2,3-thiadiazole

Synonymous chemical names:
5-methyl-1,2,3-thiadiazole

External chemical identifiers:
CID:39661, ChEBI:144324, SureChEMBL:SCHEMBL762980, MolPort-019-956-537

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Chemical structure information

SMILES:
Cc1cnns1

InChI:
InChI=1S/C3H4N2S/c1-3-2-4-5-6-3/h2H,1H3

InChIKey:
PJBPUBIFRFCYHE-UHFFFAOYSA-N

DeepSMILES:
Cccnns5

Functional groups:
c1csnn1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1csnn1

Scaffold Graph/Node level:
C1CSNN1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Thiadiazoles

NP-Likeness score: -2.524

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Chemical structure download