A1CW2

(3R)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine

Created:	2025-09-30
Last modified:	2026-02-18

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1 entries where A1CW2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	5

2D diagram of A1CW2

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Chemical Component Summary
Name	(3R)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine
Systematic Name (OpenEye OEToolkits)	2-chloranyl-5-[[(3~{R})-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
Formula	C₁₀ H₁₅ Cl N₂ S
Molecular Weight	230.757
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1ncc(CN2CC(C)CCC2)s1
SMILES	CACTVS	3.385	C[CH]1CCCN(C1)Cc2sc(Cl)nc2
SMILES	OpenEye OEToolkits	3.1.0.0	CC1CCCN(C1)Cc2cnc(s2)Cl
Canonical SMILES	CACTVS	3.385	C[C@@H]1CCCN(C1)Cc2sc(Cl)nc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@@H]1CCCN(C1)Cc2cnc(s2)Cl
InChI	InChI	1.06	InChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)7-9-5-12-10(11)14-9/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKey	InChI	1.06	XWHGDDRUUWBESD-MRVPVSSYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.