Structural Complex
Chemical ID: A1DNX
IUPAC Name: [1,3]thiazolo[4,5-b]pyrazin-2-amine
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1cnc2scnc2n1
InChI: InChI=1S/C5H3N3S/c1-2-7-5-4(6-1)8-3-9-5/h1-3H
InChI Key: HEIZPACCIHXHKV-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C5 H4 N4 S
Molecular weight: 152.177
Hydrogen Bond Acceptor: 5
Hydrogen Bond Donor: 1
Rotatable Bonds: 1
Heavy Atoms: 10
Systematic name
Program Version Descriptor
ACDLabs 14.52 [1,3]thiazolo[4,5-b]pyrazin-2-amine
OpenEye OEToolkits 3.1.0.0 [1,3]thiazolo[4,5-b]pyrazin-2-amine
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 Nc1nc2nccnc2s1
InChI InChI 1.06 InChI=1S/C5H4N4S/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H,(H2,6,7,9)
InChIKey InChI 1.06 IGXMPTMLSAOJBY-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Nc1sc2nccnc2n1
SMILES CACTVS 3.385 Nc1sc2nccnc2n1
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 c1cnc2c(n1)nc(s2)N
SMILES OpenEye OEToolkits 3.1.0.0 c1cnc2c(n1)nc(s2)N
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