L9T

N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

Created:	2019-08-01
Last modified:	2021-07-07

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1 entries where L9T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	16

2D diagram of L9T

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Chemical Component Summary
Name	N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
Formula	C₁₆ H₁₆ N₄ O₂ S
Molecular Weight	328.389
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C
Canonical SMILES	CACTVS	3.385	Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C
InChI	InChI	1.03	InChI=1S/C16H16N4O2S/c1-10-15(12-6-7-20(2)19-12)23-16(18-10)17-8-11-4-3-5-13-14(11)22-9-21-13/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKey	InChI	1.03	VRBFSPXSSUIMQI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126463397

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.