5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine

C14H27N3O2SSi — CID 171477556

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Oc2nnc(N)s2)CC1
InChIInChI=1S/C14H27N3O2SSi/c1-14(2,3)21(4,5)19-11-8-6-10(7-9-11)18-13-17-16-12(15)20-13/h10-11H,6-9H2,1-5H3,(H2,15,16)
InChIKeyPSQHAUDDXZLTQA-UHFFFAOYSA-N
MW329.54 g/mol
LogP3.83
Rot. Bonds4

About 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine

5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine (PubChem CID 171477556) has the molecular formula C14H27N3O2SSi and a molecular weight of 329.54 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine
PubChem CID171477556
Molecular FormulaC14H27N3O2SSi
Molecular Weight329.54 g/mol
Exact Mass329.16
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Oc2nnc(N)s2)CC1
InChIInChI=1S/C14H27N3O2SSi/c1-14(2,3)21(4,5)19-11-8-6-10(7-9-11)18-13-17-16-12(15)20-13/h10-11H,6-9H2,1-5H3,(H2,15,16)
InChIKeyPSQHAUDDXZLTQA-UHFFFAOYSA-N
XLogP3.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-dimethyl-[[(1R,4S,8S)-9-oxabicyclo[6.1.0]nonan-4-yl]oxy]silane
CID 140674612
5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine
CID 170550686
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
CID 166163188
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627

Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine (CID 171477556) is 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine is CC(C)(C)[Si](C)(C)OC1CCC(Oc2nnc(N)s2)CC1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine?
The InChIKey is PSQHAUDDXZLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2SSi/c1-14(2,3)21(4,5)19-11-8-6-10(7-9-11)18-13-17-16-12(15)20-13/h10-11H,6-9H2,1-5H3,(H2,15,16).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine?
5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine has a molecular weight of 329.54 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171477556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).