50Z

[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone

Created:	2011-05-16
Last modified:	2012-10-26

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1 entries where 50Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of 50Z

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Chemical Component Summary
Name	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-2-yl-methanone
Formula	C₁₂ H₁₂ N₄ O S
Molecular Weight	260.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(nc1N)NC\C=C)c2ncccc2
SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2ccccn2
SMILES	OpenEye OEToolkits	1.7.2	C=CCNc1nc(c(s1)C(=O)c2ccccn2)N
Canonical SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2ccccn2
Canonical SMILES	OpenEye OEToolkits	1.7.2	C=CCNc1nc(c(s1)C(=O)c2ccccn2)N
InChI	InChI	1.03	InChI=1S/C12H12N4OS/c1-2-6-15-12-16-11(13)10(18-12)9(17)8-5-3-4-7-14-8/h2-5,7H,1,6,13H2,(H,15,16)
InChIKey	InChI	1.03	UJHTWFHWKSDNFF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73351926
ChEMBL	CHEMBL2377857

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.