Summary

IMPPAT Phytochemical identifier: IMPHY015942

Phytochemical name: 4-Methyl-5-thiazoleethanol

Synonymous chemical names:
sulfurol

External chemical identifiers:
CID:1136, ChEMBL:CHEMBL1236482, ChEBI:17957, ZINC:ZINC000000160790, FDASRS:3XYV4I47I8, SureChEMBL:SCHEMBL259480, MolPort-001-761-367

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Chemical structure information

SMILES:
Cc1ncsc1CCO

InChI:
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

InChIKey:
BKAWJIRCKVUVED-UHFFFAOYSA-N

DeepSMILES:
Ccncsc5CCO

Functional groups:
CO, 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: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Thiazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Serine alkaloids

NP Classifier Class: Thiazole alkaloids

NP-Likeness score: -1.461

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Chemical structure download