Z60

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

Created:	2011-05-13
Last modified:	2012-10-26

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1 entries where Z60 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

2D diagram of Z60

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Chemical Component Summary
Name	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-chloranylthiophen-2-yl)methanone
Formula	C₁₁ H₁₀ Cl N₃ O S₂
Molecular Weight	299.8
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1sc(cc1)C(=O)c2sc(nc2N)NC\C=C
SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2
SMILES	OpenEye OEToolkits	1.7.2	C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N
Canonical SMILES	CACTVS	3.370	Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.2	C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N
InChI	InChI	1.03	InChI=1S/C11H10ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)
InChIKey	InChI	1.03	KOFQZAVTXLVRJI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1613361
ChEMBL	CHEMBL2377859

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