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

C19H38N2O4SSi2 — CID 69009336

IUPAC[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1
InChIInChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-14(25-28(9,10)19(4,5)6)15(21-17(22)23)16-20-11-12-26-16/h11-12,14-15,21H,13H2,1-10H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyHEADBAOYJBKXJD-HUUCEWRRSA-N
MW446.76 g/mol
LogP5.86
Rot. Bonds8

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

[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid (PubChem CID 69009336) has the molecular formula C19H38N2O4SSi2 and a molecular weight of 446.76 g/mol. Its IUPAC name is [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid
PubChem CID69009336
Molecular FormulaC19H38N2O4SSi2
Molecular Weight446.76 g/mol
Exact Mass446.21
IUPAC Name[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)O)c1nccs1
InChIInChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-14(25-28(9,10)19(4,5)6)15(21-17(22)23)16-20-11-12-26-16/h11-12,14-15,21H,13H2,1-10H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyHEADBAOYJBKXJD-HUUCEWRRSA-N
XLogP5.86
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 55.86
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]-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The IUPAC name of [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid (CID 69009336) is [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamic acid is CC(C)(C)[Si](C)(C)OC[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]-1-(1,3-thiazol-2-yl)propyl]carbamic acid?
The InChIKey is HEADBAOYJBKXJD-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H38N2O4SSi2/c1-18(2,3)27(7,8)24-13-14(25-28(9,10)19(4,5)6)15(21-17(22)23)16-20-11-12-26-16/h11-12,14-15,21H,13H2,1-10H3,(H,22,23)/t14-,15-/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]carbamic acid?
[(1R,2S)-2,3-bis[[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 5.86, 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]-1-(1,3-thiazol-2-yl)propyl]carbamic acid is sourced from PubChem (CID 69009336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).