ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

C31H34N6O5S4Si — CID 10676398

IUPACethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2csc(-c3ccc(-c4nc(CO[Si](C)(C)C(C)(C)C)cs4)c(-c4csc([C@H]5NC(=O)O[C@@H]5C)n4)n3)n2)n1
InChIInChI=1S/C31H34N6O5S4Si/c1-8-40-29(38)22-15-45-27(36-22)21-14-44-26(35-21)19-10-9-18(25-32-17(12-43-25)11-41-47(6,7)31(3,4)5)24(33-19)20-13-46-28(34-20)23-16(2)42-30(39)37-23/h9-10,12-16,23H,8,11H2,1-7H3,(H,37,39)/t16-,23+/m1/s1
InChIKeyLOTMVFLEOJQOLP-MWTRTKDXSA-N
MW727.00 g/mol
LogP8.44
Rot. Bonds10

About ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 10676398) has the molecular formula C31H34N6O5S4Si and a molecular weight of 727.00 g/mol. Its IUPAC name is ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID10676398
Molecular FormulaC31H34N6O5S4Si
Molecular Weight727.00 g/mol
Exact Mass726.12
IUPAC Nameethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2csc(-c3ccc(-c4nc(CO[Si](C)(C)C(C)(C)C)cs4)c(-c4csc([C@H]5NC(=O)O[C@@H]5C)n4)n3)n2)n1
InChIInChI=1S/C31H34N6O5S4Si/c1-8-40-29(38)22-15-45-27(36-22)21-14-44-26(35-21)19-10-9-18(25-32-17(12-43-25)11-41-47(6,7)31(3,4)5)24(33-19)20-13-46-28(34-20)23-16(2)42-30(39)37-23/h9-10,12-16,23H,8,11H2,1-7H3,(H,37,39)/t16-,23+/m1/s1
InChIKeyLOTMVFLEOJQOLP-MWTRTKDXSA-N
XLogP8.44
TPSA138.31 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500727.00
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (CID 10676398) is ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2csc(-c3ccc(-c4nc(CO[Si](C)(C)C(C)(C)C)cs4)c(-c4csc([C@H]5NC(=O)O[C@@H]5C)n4)n3)n2)n1.
What is the InChIKey of ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is LOTMVFLEOJQOLP-MWTRTKDXSA-N. The full InChI is InChI=1S/C31H34N6O5S4Si/c1-8-40-29(38)22-15-45-27(36-22)21-14-44-26(35-21)19-10-9-18(25-32-17(12-43-25)11-41-47(6,7)31(3,4)5)24(33-19)20-13-46-28(34-20)23-16(2)42-30(39)37-23/h9-10,12-16,23H,8,11H2,1-7H3,(H,37,39)/t16-,23+/m1/s1.
What are the key properties of ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 727.00 g/mol, XLogP of 8.44, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-6-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-pyridinyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10676398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).