A1H6R

(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol

Created:	2024-03-26
Last modified:	2025-03-05

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1 entries where A1H6R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	2
Bond Count	52
Aromatic Bond Count	0

2D diagram of A1H6R

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Chemical Component Summary
Name	(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
Systematic Name (OpenEye OEToolkits)	(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
Formula	C₁₇ H₂₈ N₂ O S
Molecular Weight	308.482
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4
SMILES	OpenEye OEToolkits	2.0.7	C1CCC(CC1)C(C2=C(SC3N2CNC3)C4CCCC4)O
Canonical SMILES	CACTVS	3.385	O[C@@H](C1CCCCC1)C2=C(S[C@@H]3CNCN23)C4CCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCC(CC1)[C@@H](C2=C(S[C@H]3N2CNC3)C4CCCC4)O
InChI	InChI	1.06	InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1
InChIKey	InChI	1.06	HFSRQYZGWAJUJK-ZBFHGGJFSA-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.