A1CYD

4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

Created:	2025-10-10
Last modified:	2025-12-10

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1 entries where A1CYD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	5

2D diagram of A1CYD

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Chemical Component Summary
Name	4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
Systematic Name (OpenEye OEToolkits)	4-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
Formula	C₉ H₁₄ N₂ O S
Molecular Weight	198.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1csc(NCC2OCCC2)n1
SMILES	CACTVS	3.385	Cc1csc(NC[CH]2CCCO2)n1
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NCC2CCCO2
Canonical SMILES	CACTVS	3.385	Cc1csc(NC[C@@H]2CCCO2)n1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NC[C@@H]2CCCO2
InChI	InChI	1.06	InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m0/s1
InChIKey	InChI	1.06	VWLMRMKWLYRBMA-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	29273849

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.