[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid

C23H46N2O4SSi2 — CID 67269655

IUPAC[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid
SMILESCC(C)(C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1
InChIInChI=1S/C23H46N2O4SSi2/c1-21(2,3)18(29-32(12,13)23(7,8)9)17(28-31(10,11)22(4,5)6)16(25-20(26)27)19-24-14-15-30-19/h14-18,25H,1-13H3,(H,26,27)/t16-,17+,18?/m1/s1
InChIKeyYWLXIXXLHMLTKX-DVKDBIPTSA-N
MW502.87 g/mol
LogP7.28
Rot. Bonds8

About [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid

[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid (PubChem CID 67269655) 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]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid
PubChem CID67269655
Molecular FormulaC23H46N2O4SSi2
Molecular Weight502.87 g/mol
Exact Mass502.27
IUPAC Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid
SMILESCC(C)(C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1
InChIInChI=1S/C23H46N2O4SSi2/c1-21(2,3)18(29-32(12,13)23(7,8)9)17(28-31(10,11)22(4,5)6)16(25-20(26)27)19-24-14-15-30-19/h14-18,25H,1-13H3,(H,26,27)/t16-,17+,18?/m1/s1
InChIKeyYWLXIXXLHMLTKX-DVKDBIPTSA-N
XLogP7.28
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid?
The IUPAC name of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid (CID 67269655) is [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid is CC(C)(C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1.
What is the InChIKey of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid?
The InChIKey is YWLXIXXLHMLTKX-DVKDBIPTSA-N. The full InChI is InChI=1S/C23H46N2O4SSi2/c1-21(2,3)18(29-32(12,13)23(7,8)9)17(28-31(10,11)22(4,5)6)16(25-20(26)27)19-24-14-15-30-19/h14-18,25H,1-13H3,(H,26,27)/t16-,17+,18?/m1/s1.
What are the key properties of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid?
[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid has a molecular weight of 502.87 g/mol, XLogP of 7.28, 8 rotatable bonds, 2 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]-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentyl]carbamic acid is sourced from PubChem (CID 67269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).