K04

(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)

Created:	2018-10-25
Last modified:	2018-12-19

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2 entries where K04 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	26
Aromatic Bond Count	5

2D diagram of K04

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Chemical Component Summary
Name	(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{S})-3-methyl-~{N}-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide
Formula	C₈ H₁₁ N₃ O₂ S
Molecular Weight	213.257
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cc(NC(C1OCCC1C)=O)sn2
SMILES	CACTVS	3.385	C[CH]1CCO[CH]1C(=O)Nc2snnc2
SMILES	OpenEye OEToolkits	2.0.6	CC1CCOC1C(=O)Nc2cnns2
Canonical SMILES	CACTVS	3.385	C[C@H]1CCO[C@@H]1C(=O)Nc2snnc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2
InChI	InChI	1.03	InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1
InChIKey	InChI	1.03	OAYBAYPFIGUPDE-FSPLSTOPSA-N

Related Resource References

Resource Name	Reference
PubChem	100684973

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