prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate

C26H30N2O3SSi — CID 174430206

IUPACprop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESC=CCOC(=O)c1csc(N2CC(c3ccccc3)(C(C)(C)C)C2(O[SiH3])c2ccccc2)n1
InChIInChI=1S/C26H30N2O3SSi/c1-5-16-30-22(29)21-17-32-23(27-21)28-18-25(24(2,3)4,19-12-8-6-9-13-19)26(28,31-33)20-14-10-7-11-15-20/h5-15,17H,1,16,18H2,2-4,33H3
InChIKeyVAPFNNIHIJTWCZ-UHFFFAOYSA-N
MW478.69 g/mol
LogP4.44
Rot. Bonds7

About prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate

prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 174430206) has the molecular formula C26H30N2O3SSi and a molecular weight of 478.69 g/mol. Its IUPAC name is prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID174430206
Molecular FormulaC26H30N2O3SSi
Molecular Weight478.69 g/mol
Exact Mass478.17
IUPAC Nameprop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESC=CCOC(=O)c1csc(N2CC(c3ccccc3)(C(C)(C)C)C2(O[SiH3])c2ccccc2)n1
InChIInChI=1S/C26H30N2O3SSi/c1-5-16-30-22(29)21-17-32-23(27-21)28-18-25(24(2,3)4,19-12-8-6-9-13-19)26(28,31-33)20-14-10-7-11-15-20/h5-15,17H,1,16,18H2,2-4,33H3
InChIKeyVAPFNNIHIJTWCZ-UHFFFAOYSA-N
XLogP4.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.69
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate (CID 174430206) is prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate is C=CCOC(=O)c1csc(N2CC(c3ccccc3)(C(C)(C)C)C2(O[SiH3])c2ccccc2)n1.
What is the InChIKey of prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is VAPFNNIHIJTWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3SSi/c1-5-16-30-22(29)21-17-32-23(27-21)28-18-25(24(2,3)4,19-12-8-6-9-13-19)26(28,31-33)20-14-10-7-11-15-20/h5-15,17H,1,16,18H2,2-4,33H3.
What are the key properties of prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 478.69 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(3-tert-butyl-2,3-diphenyl-2-silyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 174430206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).