Structural Complex
Chemical ID: A1I3P
IUPAC Name: 2-methyl-1,3-thiazole
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1cscn1
InChI: InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChI Key: FZWLAAWBMGSTSO-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C4 H5 N S
Molecular weight: 99.154
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 6
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 2-methyl-1,3-thiazole
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKey InChI 1.06 VZWOXDYRBDIHMA-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Cc1sccn1
SMILES CACTVS 3.385 Cc1sccn1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 Cc1nccs1
SMILES OpenEye OEToolkits 2.0.7 Cc1nccs1
Chemical Database Mapping
Database Reference ID
PubChem 77129
ChEBI CHEBI:229326
SureChEMBL 5507
HMDB HMDB0245241
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