3TK

N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

Created:	2014-10-23
Last modified:	2015-02-25

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1 entries where 3TK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

2D diagram of 3TK

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Chemical Component Summary
Name	N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Systematic Name (OpenEye OEToolkits)	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]ethanamide
Formula	C₁₈ H₁₈ N₄ O S₂
Molecular Weight	370.492
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ncc(s1)Cc2ccccc2)CSc3nc(cc(n3)C)C
SMILES	CACTVS	3.385	Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3ccccc3)cn2)n1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)nc(SCC(=O)Nc2sc(Cc3ccccc3)cn2)n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C
InChI	InChI	1.03	InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)
InChIKey	InChI	1.03	LHMBJRUBDQYYSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1096276
ChEMBL	CHEMBL3769988

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