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SummaryGeometryRelated PDB entries

A1H60

Summary
Name:(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol
Formula:C17 H15 N5 O S
Formal charge:0
Formula weight:337.399 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H15N5OS/c23-16(13-9-22(20-19-13)12-4-2-1-3-5-12)15-17(11-6-7-11)24-14-8-18-10-21(14)15/h1-5,8-11,16,23H,6-7H2/t16-/m0/s1
InChIKeyInChI1.06UKUAOOUOSBGLGI-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385O[C@@H](c1cn(nn1)c2ccccc2)c3n4cncc4sc3C5CC5
SMILESCACTVS3.385O[CH](c1cn(nn1)c2ccccc2)c3n4cncc4sc3C5CC5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)n2cc(nn2)[C@@H](c3c(sc4n3cnc4)C5CC5)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)n2cc(nn2)C(c3c(sc4n3cnc4)C5CC5)O

250359

PDB entries from 2026-03-11

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