[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid

C19H38N2O4SSi2 — CID 87653956

IUPAC[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(c1nccs1)N(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-11-15(16-20-12-14-26-16)21(17(22)23)25-28(9,10)19(4,5)6/h12,14-15H,11,13H2,1-10H3,(H,22,23)
InChIKeyFSHBDEPYNOFSSG-UHFFFAOYSA-N
MW446.76 g/mol
LogP6.51
Rot. Bonds8

About [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid

[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid (PubChem CID 87653956) has the molecular formula C19H38N2O4SSi2 and a molecular weight of 446.76 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid
PubChem CID87653956
Molecular FormulaC19H38N2O4SSi2
Molecular Weight446.76 g/mol
Exact Mass446.21
IUPAC Name[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(c1nccs1)N(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-11-15(16-20-12-14-26-16)21(17(22)23)25-28(9,10)19(4,5)6/h12,14-15H,11,13H2,1-10H3,(H,22,23)
InChIKeyFSHBDEPYNOFSSG-UHFFFAOYSA-N
XLogP6.51
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The IUPAC name of [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid (CID 87653956) is [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid.
What is the SMILES notation for [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The canonical SMILES for [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid is CC(C)(C)[Si](C)(C)OCCC(c1nccs1)N(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The InChIKey is FSHBDEPYNOFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-11-15(16-20-12-14-26-16)21(17(22)23)25-28(9,10)19(4,5)6/h12,14-15H,11,13H2,1-10H3,(H,22,23).
What are the key properties of [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
[tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid has a molecular weight of 446.76 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid is sourced from PubChem (CID 87653956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).