A1AJ3

{(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl}methanol

Created:	2024-04-03
Last modified:	2024-05-08

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1 entries where A1AJ3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	5

2D diagram of A1AJ3

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Chemical Component Summary
Name	{(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl}methanol
Systematic Name (OpenEye OEToolkits)	[(1~{S},2~{S})-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
Formula	C₁₀ H₁₇ N₃ O S
Molecular Weight	227.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(NC2CCCC2(C)CO)sn1
SMILES	CACTVS	3.385	Cc1nsc(N[CH]2CCC[C]2(C)CO)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(sn1)NC2CCCC2(C)CO
Canonical SMILES	CACTVS	3.385	Cc1nsc(N[C@H]2CCC[C@]2(C)CO)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(sn1)N[C@H]2CCC[C@]2(C)CO
InChI	InChI	1.06	InChI=1S/C10H17N3OS/c1-7-11-9(15-13-7)12-8-4-3-5-10(8,2)6-14/h8,14H,3-6H2,1-2H3,(H,11,12,13)/t8-,10+/m0/s1
InChIKey	InChI	1.06	OXBOFYWMHPKHNR-WCBMZHEXSA-N

Related Resource References

Resource Name	Reference
PubChem	99846985

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