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

C23H46N2O4SSi2 — CID 86635711

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

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

tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 86635711) has the molecular formula C23H46N2O4SSi2 and a molecular weight of 502.87 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID86635711
Molecular FormulaC23H46N2O4SSi2
Molecular Weight502.87 g/mol
Exact Mass502.27
IUPAC Nametert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)N[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)28-20(26)25-18(19-24-14-15-30-19)17(29-32(12,13)23(7,8)9)16-27-31(10,11)22(4,5)6/h14-15,17-18H,16H2,1-13H3,(H,25,26)/t17-,18-/m1/s1
InChIKeyGXNKRLMQSCNGSZ-QZTJIDSGSA-N
XLogP7.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 134874893
CID 134874893
CID 134874932
CID 134874932
CID 134874953
CID 134874953
CID 67269653
CID 67269653
CID 67269655
CID 67269655
CID 67269894
CID 67269894
CID 67269896
CID 67269896
CID 69009336
CID 69009336
CID 10507435
CID 10507435
CID 11796100
CID 11796100
CID 11796101
CID 11796101
CID 107255359
CID 107255359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate (CID 86635711) is tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate is CC(C)(C)OC(=O)N[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 tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is GXNKRLMQSCNGSZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H46N2O4SSi2/c1-21(2,3)28-20(26)25-18(19-24-14-15-30-19)17(29-32(12,13)23(7,8)9)16-27-31(10,11)22(4,5)6/h14-15,17-18H,16H2,1-13H3,(H,25,26)/t17-,18-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 502.87 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 86635711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).