08Z

4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide

Created:	2011-04-18
Last modified:	2012-10-26

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1 entries where 08Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

2D diagram of 08Z

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Chemical Component Summary
Name	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
Systematic Name (OpenEye OEToolkits)	4-[(4-azanyl-5-pyridin-3-ylcarbonyl-1,3-thiazol-2-yl)amino]benzamide
Formula	C₁₆ H₁₃ N₅ O₂ S
Molecular Weight	339.372
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
SMILES	CACTVS	3.370	NC(=O)c1ccc(Nc2sc(c(N)n2)C(=O)c3cccnc3)cc1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N
Canonical SMILES	CACTVS	3.370	NC(=O)c1ccc(Nc2sc(c(N)n2)C(=O)c3cccnc3)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N
InChI	InChI	1.03	InChI=1S/C16H13N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8H,17H2,(H2,18,23)(H,20,21)
InChIKey	InChI	1.03	LWEUMOYBSFDLPX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71662399
ChEMBL	CHEMBL2377865

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