1V6

4-(4-benzylphenyl)-1,3-thiazol-2-amine

Created:	2013-06-15
Last modified:	2014-03-12

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2 entries where 1V6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	17

2D diagram of 1V6

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Chemical Component Summary
Name	4-(4-benzylphenyl)-1,3-thiazol-2-amine
Systematic Name (OpenEye OEToolkits)	4-[4-(phenylmethyl)phenyl]-1,3-thiazol-2-amine
Formula	C₁₆ H₁₄ N₂ S
Molecular Weight	266.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c(c1ccc(cc1)Cc2ccccc2)csc3N
SMILES	CACTVS	3.370	Nc1scc(n1)c2ccc(Cc3ccccc3)cc2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N
Canonical SMILES	CACTVS	3.370	Nc1scc(n1)c2ccc(Cc3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N
InChI	InChI	1.03	InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKey	InChI	1.03	XYDVHKCVOMGRSY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3883608
PubChem	3768902
ChEMBL	CHEMBL3883608

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