Z67

4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

Created:	2011-03-29
Last modified:	2012-10-26

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1 entries where Z67 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of Z67

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Chemical Component Summary
Name	4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	4-azanyl-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula	C₁₆ H₁₃ F₂ N₅ O₃ S₂
Molecular Weight	425.433
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F
InChI	InChI	1.03	InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKey	InChI	1.03	FQEUBNKUJIJESK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66553058

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.