S0E

6-(trifluoromethyl)-1,3-benzothiazol-2-amine

Created:	2013-11-06
Last modified:	2014-04-16

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1 entries where S0E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of S0E

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Chemical Component Summary
Name	6-(trifluoromethyl)-1,3-benzothiazol-2-amine
Systematic Name (OpenEye OEToolkits)	6-(trifluoromethyl)-1,3-benzothiazol-2-amine
Formula	C₈ H₅ F₃ N₂ S
Molecular Weight	218.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1ccc2nc(sc2c1)N
SMILES	CACTVS	3.385	Nc1sc2cc(ccc2n1)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C(F)(F)F)sc(n2)N
Canonical SMILES	CACTVS	3.385	Nc1sc2cc(ccc2n1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C(F)(F)F)sc(n2)N
InChI	InChI	1.03	InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKey	InChI	1.03	WEDYEBJLWMPPOK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2735955
ChEMBL	CHEMBL442384

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