dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium

C17H23N6O2SSi+ — CID 143603365

IUPACdimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
SMILESC[SiH2+](C)c1cn(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)nn1
InChIInChI=1S/C17H23N6O2SSi/c1-27(2)14-10-23(21-19-14)11-15(24)22-7-5-12(6-8-22)17-18-16(20-25-17)13-4-3-9-26-13/h3-4,9-10,12H,5-8,11,27H2,1-2H3/q+1
InChIKeyJRRYVOVPNFJSJR-UHFFFAOYSA-N
MW403.56 g/mol
LogP1.22
Rot. Bonds5

About dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium

dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium (PubChem CID 143603365) has the molecular formula C17H23N6O2SSi+ and a molecular weight of 403.56 g/mol. Its IUPAC name is dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium.

Molecular Properties

Compound Namedimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
PubChem CID143603365
Molecular FormulaC17H23N6O2SSi+
Molecular Weight403.56 g/mol
Exact Mass403.14
IUPAC Namedimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
SMILESC[SiH2+](C)c1cn(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)nn1
InChIInChI=1S/C17H23N6O2SSi/c1-27(2)14-10-23(21-19-14)11-15(24)22-7-5-12(6-8-22)17-18-16(20-25-17)13-4-3-9-26-13/h3-4,9-10,12H,5-8,11,27H2,1-2H3/q+1
InChIKeyJRRYVOVPNFJSJR-UHFFFAOYSA-N
XLogP1.22
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 67251435
1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804752
4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide
CID 4178179
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42764789
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804269
1-(2-amino-1,3-thiazol-4-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804749
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium?
The IUPAC name of dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium (CID 143603365) is dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium.
What is the SMILES notation for dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium?
The canonical SMILES for dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium is C[SiH2+](C)c1cn(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)nn1.
What is the InChIKey of dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium?
The InChIKey is JRRYVOVPNFJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N6O2SSi/c1-27(2)14-10-23(21-19-14)11-15(24)22-7-5-12(6-8-22)17-18-16(20-25-17)13-4-3-9-26-13/h3-4,9-10,12H,5-8,11,27H2,1-2H3/q+1.
What are the key properties of dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium?
dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium has a molecular weight of 403.56 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium is sourced from PubChem (CID 143603365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).