J87

N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide

Created:	2018-08-22
Last modified:	2019-02-13

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1 entries where J87 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	17

2D diagram of J87

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Chemical Component Summary
Name	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-methoxy-4-morpholin-4-yl-phenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
Formula	C₂₀ H₂₀ N₄ O₃ S
Molecular Weight	396.463
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(c1cnccc1)ncc(C(Nc2c(cc(cc2)N3CCOCC3)OC)=O)s4
SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4
Canonical SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2sc(nc2)c3cccnc3)N4CCOCC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4
InChI	InChI	1.03	InChI=1S/C20H20N4O3S/c1-26-17-11-15(24-7-9-27-10-8-24)4-5-16(17)23-19(25)18-13-22-20(28-18)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)
InChIKey	InChI	1.03	SAACSZSWNHZEBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137331515

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