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A1B5Q

Summary
Name:(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
Formula:C15 H17 N3 O2 S
Formal charge:0
Formula weight:303.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(1,3-benzothiazol-7-yl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Cc1cccc2ncsc12
InChIInChI1.06InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
InChIKeyInChI1.06WGNHPXNYNNGWCO-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3ncsc23
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3ncsc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)ncs2)CC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)ncs2)CC(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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