2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile

C25H30N2OSSi — CID 56837237

IUPAC2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nc(CC#N)cs1
InChIInChI=1S/C25H30N2OSSi/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)28-19-25(4,5)23-27-20(16-17-26)18-29-23/h6-15,18H,16,19H2,1-5H3
InChIKeyTUCGKEIFNDJPKL-UHFFFAOYSA-N
MW434.68 g/mol
LogP5.06
Rot. Bonds7

About 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile

2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile (PubChem CID 56837237) has the molecular formula C25H30N2OSSi and a molecular weight of 434.68 g/mol. Its IUPAC name is 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile
PubChem CID56837237
Molecular FormulaC25H30N2OSSi
Molecular Weight434.68 g/mol
Exact Mass434.18
IUPAC Name2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nc(CC#N)cs1
InChIInChI=1S/C25H30N2OSSi/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)28-19-25(4,5)23-27-20(16-17-26)18-29-23/h6-15,18H,16,19H2,1-5H3
InChIKeyTUCGKEIFNDJPKL-UHFFFAOYSA-N
XLogP5.06
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile (CID 56837237) is 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nc(CC#N)cs1.
What is the InChIKey of 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is TUCGKEIFNDJPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2OSSi/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)28-19-25(4,5)23-27-20(16-17-26)18-29-23/h6-15,18H,16,19H2,1-5H3.
What are the key properties of 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile?
2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 434.68 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 56837237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).