HQF

1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid

Created:	2021-01-27
Last modified:	2022-01-26

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1 entries where HQF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	15

2D diagram of HQF

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Chemical Component Summary
Name	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
Formula	C₁₂ H₁₀ N₄ O₂ S
Molecular Weight	274.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N
Canonical SMILES	CACTVS	3.385	Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N
InChI	InChI	1.03	InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)
InChIKey	InChI	1.03	AKDVYGWISHGCBY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162421325

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