2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

C15H19N5O3S2 — CID 650087

IUPAC2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)o2)n1
InChIInChI=1S/C15H19N5O3S2/c1-10-7-11(2)17-14(16-10)24-8-12-18-19-15(23-12)25-9-13(21)20-3-5-22-6-4-20/h7H,3-6,8-9H2,1-2H3
InChIKeyHABBJTVFTXMNQU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.72
Rot. Bonds6

About 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 650087) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID650087
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC Name2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)o2)n1
InChIInChI=1S/C15H19N5O3S2/c1-10-7-11(2)17-14(16-10)24-8-12-18-19-15(23-12)25-9-13(21)20-3-5-22-6-4-20/h7H,3-6,8-9H2,1-2H3
InChIKeyHABBJTVFTXMNQU-UHFFFAOYSA-N
XLogP1.72
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-[2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
CID 2531821
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167546
1-(2,6-Dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
CID 5166984
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 757646
[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 656332
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-methoxyethyl)acetamide
CID 2302363
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 4878112
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 950294
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
CID 16644560
4-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 2488962

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 650087) is 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)o2)n1.
What is the InChIKey of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is HABBJTVFTXMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-10-7-11(2)17-14(16-10)24-8-12-18-19-15(23-12)25-9-13(21)20-3-5-22-6-4-20/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 381.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 650087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).