K1A

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one

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

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4 entries where K1A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	5

2D diagram of K1A

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Chemical Component Summary
Name	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
Systematic Name (OpenEye OEToolkits)	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
Formula	C₉ H₁₁ N₃ O₂ S
Molecular Weight	225.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(C(SC(=N1)C)=O)Cc2c(C)noc2C
SMILES	CACTVS	3.385	Cc1onc(C)c1CN2N=C(C)SC2=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)CN2C(=O)SC(=N2)C
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1CN2N=C(C)SC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)CN2C(=O)SC(=N2)C
InChI	InChI	1.03	InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3
InChIKey	InChI	1.03	QMZRSGJUZDOFDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	99836449

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.