tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C25H39N3O5S2Si — CID 135072431

IUPACtert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(CO[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C
InChIInChI=1S/C25H39N3O5S2Si/c1-23(2,3)33-22(30)28-18(13-31-25(28,7)8)21-27-17(15-35-21)19(29)11-20-26-16(14-34-20)12-32-36(9,10)24(4,5)6/h14-15,18H,11-13H2,1-10H3/t18-/m0/s1
InChIKeyWNGFFWJZFDJPOA-SFHVURJKSA-N
MW553.82 g/mol
LogP6.59
Rot. Bonds7

About tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 135072431) has the molecular formula C25H39N3O5S2Si and a molecular weight of 553.82 g/mol. Its IUPAC name is tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID135072431
Molecular FormulaC25H39N3O5S2Si
Molecular Weight553.82 g/mol
Exact Mass553.21
IUPAC Nametert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(CO[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C
InChIInChI=1S/C25H39N3O5S2Si/c1-23(2,3)33-22(30)28-18(13-31-25(28,7)8)21-27-17(15-35-21)19(29)11-20-26-16(14-34-20)12-32-36(9,10)24(4,5)6/h14-15,18H,11-13H2,1-10H3/t18-/m0/s1
InChIKeyWNGFFWJZFDJPOA-SFHVURJKSA-N
XLogP6.59
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(4S,5R)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-5-methyl-1,3-oxazolidin-2-one
CID 10551651
Ethyl 2-(2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)acetyl)thiazole-4-carboxylate
CID 138857336
Ethyl 2-(1-imino-2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857344
Ethyl 2-(1-((tert-butoxycarbonyl)amino)-2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857352
tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 146167600
tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 122226865

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 135072431) is tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(CO[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WNGFFWJZFDJPOA-SFHVURJKSA-N. The full InChI is InChI=1S/C25H39N3O5S2Si/c1-23(2,3)33-22(30)28-18(13-31-25(28,7)8)21-27-17(15-35-21)19(29)11-20-26-16(14-34-20)12-32-36(9,10)24(4,5)6/h14-15,18H,11-13H2,1-10H3/t18-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 553.82 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135072431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).