S0F

5-(4-bromobenzyl)-1,3-thiazol-2-amine

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

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1 entries where S0F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of S0F

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Chemical Component Summary
Name	5-(4-bromobenzyl)-1,3-thiazol-2-amine
Systematic Name (OpenEye OEToolkits)	5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
Formula	C₁₀ H₉ Br N₂ S
Molecular Weight	269.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)Cc2sc(nc2)N
SMILES	CACTVS	3.385	Nc1sc(Cc2ccc(Br)cc2)cn1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2cnc(s2)N)Br
Canonical SMILES	CACTVS	3.385	Nc1sc(Cc2ccc(Br)cc2)cn1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2cnc(s2)N)Br
InChI	InChI	1.03	InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKey	InChI	1.03	HGWLTZOMQZIUBW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	727750
ChEMBL	CHEMBL3233606

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.