tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane

C13H24N2OSSi — CID 153404871

IUPACtert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1
InChIInChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3
InChIKeyPTKGCFGUEHBSDY-UHFFFAOYSA-N
MW284.50 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane

tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane (PubChem CID 153404871) has the molecular formula C13H24N2OSSi and a molecular weight of 284.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
PubChem CID153404871
Molecular FormulaC13H24N2OSSi
Molecular Weight284.50 g/mol
Exact Mass284.14
IUPAC Nametert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane
SMILESCC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1
InChIInChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3
InChIKeyPTKGCFGUEHBSDY-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane
CID 168998149
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738
1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043
tert-butyl-dimethyl-(1-methyl-3-prop-2-ynylcyclopentyl)oxysilane
CID 88516741
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
CID 134967649
trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate
CID 153459233
(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-ene-1-carbonitrile
CID 10961835
tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937
methyl (1R,7S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8,8-dimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
CID 134835259
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane (CID 153404871) is tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane is CC1(O[Si](C)(C)C(C)(C)C)CC(c2nncs2)C1.
What is the InChIKey of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
The InChIKey is PTKGCFGUEHBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OSSi/c1-12(2,3)18(5,6)16-13(4)7-10(8-13)11-15-14-9-17-11/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane?
tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane has a molecular weight of 284.50 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-methyl-3-(1,3,4-thiadiazol-2-yl)cyclobutyl]oxysilane is sourced from PubChem (CID 153404871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).