5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine

C16H29N3O2SSi — CID 170550686

IUPAC5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)[Si](C)(C)OC12CCC(COc3nnc(N)s3)(CC1)C2
InChIInChI=1S/C16H29N3O2SSi/c1-14(2,3)23(4,5)21-16-8-6-15(10-16,7-9-16)11-20-13-19-18-12(17)22-13/h6-11H2,1-5H3,(H2,17,18)
InChIKeyAFVSVAJGKJMVSP-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.22
Rot. Bonds5

About 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine

5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine (PubChem CID 170550686) has the molecular formula C16H29N3O2SSi and a molecular weight of 355.58 g/mol. Its IUPAC name is 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine
PubChem CID170550686
Molecular FormulaC16H29N3O2SSi
Molecular Weight355.58 g/mol
Exact Mass355.17
IUPAC Name5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)[Si](C)(C)OC12CCC(COc3nnc(N)s3)(CC1)C2
InChIInChI=1S/C16H29N3O2SSi/c1-14(2,3)23(4,5)21-16-8-6-15(10-16,7-9-16)11-20-13-19-18-12(17)22-13/h6-11H2,1-5H3,(H2,17,18)
InChIKeyAFVSVAJGKJMVSP-UHFFFAOYSA-N
XLogP4.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 54.22
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-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]oxy]-dimethylsilane
CID 175958515
5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1,3,4-thiadiazol-2-amine
CID 171477556
1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile
CID 163391215
O-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.2]octanyl]methyl] N-aminocarbamothioate
CID 170550808
(Z,3E)-7-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]-3-ethylidene-2-methylhept-4-en-2-ol
CID 163390770
5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
CID 166163188
5-[(2,2-difluorocyclobutyl)methoxy]-1,3,4-thiadiazol-2-amine
CID 170550738
5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine
CID 175489312
1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043
5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608941
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]oxy-dimethylsilane
CID 141193020
5-[(6-methyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine
CID 175747245

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine (CID 170550686) is 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine is CC(C)(C)[Si](C)(C)OC12CCC(COc3nnc(N)s3)(CC1)C2.
What is the InChIKey of 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine?
The InChIKey is AFVSVAJGKJMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2SSi/c1-14(2,3)23(4,5)21-16-8-6-15(10-16,7-9-16)11-20-13-19-18-12(17)22-13/h6-11H2,1-5H3,(H2,17,18).
What are the key properties of 5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine?
5-[[4-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine has a molecular weight of 355.58 g/mol, XLogP of 4.22, 5 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]oxy-1-bicyclo[2.2.1]heptanyl]methoxy]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170550686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).