[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C27H33N3O2SSi — CID 22243011

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O2SSi/c1-27(2,3)34(22-12-6-4-7-13-22,23-14-8-5-9-15-23)32-21-18-30(19-21)26-28-24(20-33-26)25(31)29-16-10-11-17-29/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3
InChIKeyQKBKGXMLBTWFLC-UHFFFAOYSA-N
MW491.73 g/mol
LogP4.14
Rot. Bonds6

About [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22243011) has the molecular formula C27H33N3O2SSi and a molecular weight of 491.73 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID22243011
Molecular FormulaC27H33N3O2SSi
Molecular Weight491.73 g/mol
Exact Mass491.21
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O2SSi/c1-27(2,3)34(22-12-6-4-7-13-22,23-14-8-5-9-15-23)32-21-18-30(19-21)26-28-24(20-33-26)25(31)29-16-10-11-17-29/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3
InChIKeyQKBKGXMLBTWFLC-UHFFFAOYSA-N
XLogP4.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 22243011) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCC3)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QKBKGXMLBTWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2SSi/c1-27(2,3)34(22-12-6-4-7-13-22,23-14-8-5-9-15-23)32-21-18-30(19-21)26-28-24(20-33-26)25(31)29-16-10-11-17-29/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 491.73 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22243011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).