1SA

5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE

Created:	2006-07-20
Last modified:	2011-06-04

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2 entries where 1SA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	5

2D diagram of 1SA

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Chemical Component Summary
Name	5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Systematic Name (OpenEye OEToolkits)	5-amino-1,3,4-thiadiazole-2-sulfonamide
Formula	C₂ H₄ N₄ O₂ S₂
Molecular Weight	180.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1nnc(s1)N)N
SMILES	CACTVS	3.341	Nc1sc(nn1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1(nnc(s1)S(=O)(=O)N)N
Canonical SMILES	CACTVS	3.341	Nc1sc(nn1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(nnc(s1)S(=O)(=O)N)N
InChI	InChI	1.03	InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
InChIKey	InChI	1.03	VGMVBPQOACUDRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL265674
PubChem	84724, 136913010
ChEMBL	CHEMBL265674
CCDC/CSD	WACJIT
COD	2001924

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.