2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one

C26H50N2O3SSi2 — CID 135989681

IUPAC2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(CCO[Si](C)(C)C(C)(C)C)S/C(=N/C2CC3CCC2C3)NC1=O
InChIInChI=1S/C26H50N2O3SSi2/c1-24(2,3)33(7,8)30-15-13-26(14-16-31-34(9,10)25(4,5)6)22(29)28-23(32-26)27-21-18-19-11-12-20(21)17-19/h19-21H,11-18H2,1-10H3,(H,27,28,29)
InChIKeyJJGCPPQILRGIMU-UHFFFAOYSA-N
MW526.94 g/mol
LogP6.96
Rot. Bonds9

About 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one

2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one (PubChem CID 135989681) has the molecular formula C26H50N2O3SSi2 and a molecular weight of 526.94 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one
PubChem CID135989681
Molecular FormulaC26H50N2O3SSi2
Molecular Weight526.94 g/mol
Exact Mass526.31
IUPAC Name2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(CCO[Si](C)(C)C(C)(C)C)S/C(=N/C2CC3CCC2C3)NC1=O
InChIInChI=1S/C26H50N2O3SSi2/c1-24(2,3)33(7,8)30-15-13-26(14-16-31-34(9,10)25(4,5)6)22(29)28-23(32-26)27-21-18-19-11-12-20(21)17-19/h19-21H,11-18H2,1-10H3,(H,27,28,29)
InChIKeyJJGCPPQILRGIMU-UHFFFAOYSA-N
XLogP6.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.94
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[2-[2-(1-methylpiperidin-4-yl)ethoxy]propan-2-yl]-1,3-thiazolidin-4-one
CID 135989445
(5S)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one;(5R)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 158700064
2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 135989482
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol
CID 90780403
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955847
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
ethyl 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-1,4-dioxo-1,3-thiazolidine-5-carboxylate
CID 135989795
3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
CID 89421667
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one (CID 135989681) is 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one is CC(C)(C)[Si](C)(C)OCCC1(CCO[Si](C)(C)C(C)(C)C)S/C(=N/C2CC3CCC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one?
The InChIKey is JJGCPPQILRGIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O3SSi2/c1-24(2,3)33(7,8)30-15-13-26(14-16-31-34(9,10)25(4,5)6)22(29)28-23(32-26)27-21-18-19-11-12-20(21)17-19/h19-21H,11-18H2,1-10H3,(H,27,28,29).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one?
2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one has a molecular weight of 526.94 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).