12Z

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

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

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1 entries where 12Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	11

2D diagram of 12Z

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Chemical Component Summary
Name	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-azanyl-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-yl-methanone
Formula	C₁₅ H₁₈ N₄ O S
Molecular Weight	302.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(nc1N)NC2CCCCC2)c3cccnc3
SMILES	CACTVS	3.370	Nc1nc(NC2CCCCC2)sc1C(=O)c3cccnc3
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N
Canonical SMILES	CACTVS	3.370	Nc1nc(NC2CCCCC2)sc1C(=O)c3cccnc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N
InChI	InChI	1.03	InChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19)
InChIKey	InChI	1.03	GAZJAWWHSQBFHM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66553067
ChEMBL	CHEMBL2377829

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