IQ5

N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE

Created:	2015-11-13
Last modified:	2016-11-23

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1 entries where IQ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of IQ5

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Chemical Component Summary
Name	N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE
Systematic Name (OpenEye OEToolkits)	N-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide
Formula	C₁₀ H₁₁ N₃ O S
Molecular Weight	221.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1cc2nc(N)sc2cc1C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2c(cc1NC(=O)C)nc(s2)N
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cc2nc(N)sc2cc1C
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2c(cc1NC(=O)C)nc(s2)N
InChI	InChI	1.03	InChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14)
InChIKey	InChI	1.03	DUWIACCTNKYBNV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	816964

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