Q39

1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide

Created:	2020-08-14
Last modified:	2021-01-13

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1 entries where Q39 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	10

2D diagram of Q39

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Chemical Component Summary
Name	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
Formula	C₁₇ H₂₁ N₃ O₂ S₂
Molecular Weight	363.498
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1sc(CCC(=O)N2CCC(CC2)C(N)=O)c(n1)c3sccc3
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3
Canonical SMILES	CACTVS	3.385	Cc1sc(CCC(=O)N2CCC(CC2)C(N)=O)c(n1)c3sccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3
InChI	InChI	1.03	InChI=1S/C17H21N3O2S2/c1-11-19-16(13-3-2-10-23-13)14(24-11)4-5-15(21)20-8-6-12(7-9-20)17(18)22/h2-3,10,12H,4-9H2,1H3,(H2,18,22)
InChIKey	InChI	1.03	HRZYWKOZIFTEHZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	28381466

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