tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide

C26H35N3O2SSi — CID 22242824

IUPACtert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide
SMILESCC(C)(C)[Si](OC1CN(c2nccs2)C1)(c1ccccc1)c1ccccc1.CC(C)NC=O
InChIInChI=1S/C22H26N2OSSi.C4H9NO/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-18-16-24(17-18)21-23-14-15-26-21;1-4(2)5-3-6/h4-15,18H,16-17H2,1-3H3;3-4H,1-2H3,(H,5,6)
InChIKeyVNTFVWDUELUMAO-UHFFFAOYSA-N
MW481.74 g/mol
LogP4.05
Rot. Bonds7

About tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide

tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide (PubChem CID 22242824) has the molecular formula C26H35N3O2SSi and a molecular weight of 481.74 g/mol. Its IUPAC name is tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide.

Molecular Properties

Compound Nametert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide
PubChem CID22242824
Molecular FormulaC26H35N3O2SSi
Molecular Weight481.74 g/mol
Exact Mass481.22
IUPAC Nametert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide
SMILESCC(C)(C)[Si](OC1CN(c2nccs2)C1)(c1ccccc1)c1ccccc1.CC(C)NC=O
InChIInChI=1S/C22H26N2OSSi.C4H9NO/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-18-16-24(17-18)21-23-14-15-26-21;1-4(2)5-3-6/h4-15,18H,16-17H2,1-3H3;3-4H,1-2H3,(H,5,6)
InChIKeyVNTFVWDUELUMAO-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 22243029
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 175889399
tert-butyl-[1-[1-(4-isocyanophenyl)ethyl]azetidin-3-yl]oxy-diphenylsilane
CID 140732658
2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 174057201
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
CID 167381101
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide?
The IUPAC name of tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide (CID 22242824) is tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide.
What is the SMILES notation for tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide?
The canonical SMILES for tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide is CC(C)(C)[Si](OC1CN(c2nccs2)C1)(c1ccccc1)c1ccccc1.CC(C)NC=O.
What is the InChIKey of tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide?
The InChIKey is VNTFVWDUELUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OSSi.C4H9NO/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-18-16-24(17-18)21-23-14-15-26-21;1-4(2)5-3-6/h4-15,18H,16-17H2,1-3H3;3-4H,1-2H3,(H,5,6).
What are the key properties of tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide?
tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide has a molecular weight of 481.74 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[1-(1,3-thiazol-2-yl)azetidin-3-yl]oxysilane;N-propan-2-ylformamide is sourced from PubChem (CID 22242824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).