[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid

C23H46N2O4SSi2 — CID 67269653

IUPAC[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46N2O4SSi2/c1-21(2,3)25(20(26)27)18(19-24-14-15-30-19)17(29-32(12,13)23(7,8)9)16-28-31(10,11)22(4,5)6/h14-15,17-18H,16H2,1-13H3,(H,26,27)/t17-,18-/m1/s1
InChIKeyOQXIEUKDWXWYGN-QZTJIDSGSA-N
MW502.87 g/mol
LogP7.37
Rot. Bonds8

About [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid

[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid (PubChem CID 67269653) has the molecular formula C23H46N2O4SSi2 and a molecular weight of 502.87 g/mol. Its IUPAC name is [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid
PubChem CID67269653
Molecular FormulaC23H46N2O4SSi2
Molecular Weight502.87 g/mol
Exact Mass502.27
IUPAC Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46N2O4SSi2/c1-21(2,3)25(20(26)27)18(19-24-14-15-30-19)17(29-32(12,13)23(7,8)9)16-28-31(10,11)22(4,5)6/h14-15,17-18H,16H2,1-13H3,(H,26,27)/t17-,18-/m1/s1
InChIKeyOQXIEUKDWXWYGN-QZTJIDSGSA-N
XLogP7.37
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid
CID 67269655
[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid
CID 69009336
tert-butyl (1R,2S)-2,3-bis(tert-butyldimethylsilyloxy)-1-(thiazol-2-yl)propylcarbamate
CID 86635711
[Tert-butyl(dimethyl)silyl]oxy-[3-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]carbamic acid
CID 87653956

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid?
The IUPAC name of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid (CID 67269653) is [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid?
The InChIKey is OQXIEUKDWXWYGN-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H46N2O4SSi2/c1-21(2,3)25(20(26)27)18(19-24-14-15-30-19)17(29-32(12,13)23(7,8)9)16-28-31(10,11)22(4,5)6/h14-15,17-18H,16H2,1-13H3,(H,26,27)/t17-,18-/m1/s1.
What are the key properties of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid?
[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid has a molecular weight of 502.87 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67269653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).