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A1BN7

Summary
Name:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
Formula:C11 H12 Cl F2 N3 O2 S
Formal charge:0
Formula weight:323.747 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(5-chloranyl-1,2-thiazol-4-yl)-2,2-bis(fluoranyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(c1cnsc1Cl)C(=O)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C11H12ClF2N3O2S/c12-8-7(4-16-20-8)11(13,14)10(19)17-3-1-2-6(5-17)9(15)18/h4,6H,1-3,5H2,(H2,15,18)/t6-/m0/s1
InChIKeyInChI1.06GAJBKOBGGSAGFE-LURJTMIESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)C(F)(F)c2cnsc2Cl
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)C(F)(F)c2cnsc2Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(c(sn1)Cl)C(C(=O)N2CCC[C@@H](C2)C(=O)N)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1c(c(sn1)Cl)C(C(=O)N2CCCC(C2)C(=O)N)(F)F

248636

PDB entries from 2026-02-04

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