2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

C26H33N3O3SSi — CID 22242874

IUPAC2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C26H33N3O3SSi/c1-26(2,3)34(21-11-7-5-8-12-21,22-13-9-6-10-14-22)32-20-17-29(18-20)25-27-23(19-33-25)24(31)28(4)15-16-30/h5-14,19-20,30H,15-18H2,1-4H3
InChIKeyRSOXVMMNSFWXAW-UHFFFAOYSA-N
MW495.72 g/mol
LogP2.97
Rot. Bonds8

About 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 22242874) has the molecular formula C26H33N3O3SSi and a molecular weight of 495.72 g/mol. Its IUPAC name is 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID22242874
Molecular FormulaC26H33N3O3SSi
Molecular Weight495.72 g/mol
Exact Mass495.20
IUPAC Name2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C26H33N3O3SSi/c1-26(2,3)34(21-11-7-5-8-12-21,22-13-9-6-10-14-22)32-20-17-29(18-20)25-27-23(19-33-25)24(31)28(4)15-16-30/h5-14,19-20,30H,15-18H2,1-4H3
InChIKeyRSOXVMMNSFWXAW-UHFFFAOYSA-N
XLogP2.97
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 22242874) is 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CCO)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1.
What is the InChIKey of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RSOXVMMNSFWXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3SSi/c1-26(2,3)34(21-11-7-5-8-12-21,22-13-9-6-10-14-22)32-20-17-29(18-20)25-27-23(19-33-25)24(31)28(4)15-16-30/h5-14,19-20,30H,15-18H2,1-4H3.
What are the key properties of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 495.72 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).