1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one

C21H28N2O2SSi — CID 167317088

IUPAC1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC1=O
InChIInChI=1S/C21H28N2O2SSi/c1-20(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)23-26(25)16-21(4,5)19(24)22-26/h6-15H,16H2,1-5H3,(H,22,23,24,25)
InChIKeyVLFZGTPEMYLUNT-UHFFFAOYSA-N
MW400.62 g/mol
LogP3.09
Rot. Bonds3

About 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one

1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one (PubChem CID 167317088) has the molecular formula C21H28N2O2SSi and a molecular weight of 400.62 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one
PubChem CID167317088
Molecular FormulaC21H28N2O2SSi
Molecular Weight400.62 g/mol
Exact Mass400.16
IUPAC Name1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC1=O
InChIInChI=1S/C21H28N2O2SSi/c1-20(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)23-26(25)16-21(4,5)19(24)22-26/h6-15H,16H2,1-5H3,(H,22,23,24,25)
InChIKeyVLFZGTPEMYLUNT-UHFFFAOYSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
CID 154660343
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2,2-dioxooxathiazinan-5-ol
CID 177454012
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one (CID 167317088) is 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one is CC1(C)CS(=O)(=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC1=O.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one?
The InChIKey is VLFZGTPEMYLUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2SSi/c1-20(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)23-26(25)16-21(4,5)19(24)22-26/h6-15H,16H2,1-5H3,(H,22,23,24,25).
What are the key properties of 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one?
1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one has a molecular weight of 400.62 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 167317088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).