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

C31H37N5O7S4Si — CID 10771348

IUPACethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2csc(C(=O)CCC(C(=O)c3csc([C@H]4NC(=O)O[C@@H]4C)n3)c3nc(CO[Si](C)(C)C(C)(C)C)cs3)n2)n1
InChIInChI=1S/C31H37N5O7S4Si/c1-8-41-29(39)21-15-45-26(35-21)20-14-46-27(34-20)22(37)10-9-18(25-32-17(12-44-25)11-42-48(6,7)31(3,4)5)24(38)19-13-47-28(33-19)23-16(2)43-30(40)36-23/h12-16,18,23H,8-11H2,1-7H3,(H,36,40)/t16-,18?,23+/m1/s1
InChIKeySZIIMLYHFRVQIS-PCRBNMLWSA-N
MW748.02 g/mol
LogP7.68
Rot. Bonds14

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

ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 10771348) has the molecular formula C31H37N5O7S4Si and a molecular weight of 748.02 g/mol. Its IUPAC name is ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID10771348
Molecular FormulaC31H37N5O7S4Si
Molecular Weight748.02 g/mol
Exact Mass747.13
IUPAC Nameethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2csc(C(=O)CCC(C(=O)c3csc([C@H]4NC(=O)O[C@@H]4C)n3)c3nc(CO[Si](C)(C)C(C)(C)C)cs3)n2)n1
InChIInChI=1S/C31H37N5O7S4Si/c1-8-41-29(39)21-15-45-26(35-21)20-14-46-27(34-20)22(37)10-9-18(25-32-17(12-44-25)11-42-48(6,7)31(3,4)5)24(38)19-13-47-28(33-19)23-16(2)43-30(40)36-23/h12-16,18,23H,8-11H2,1-7H3,(H,36,40)/t16-,18?,23+/m1/s1
InChIKeySZIIMLYHFRVQIS-PCRBNMLWSA-N
XLogP7.68
TPSA159.56 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.02
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-amino-3-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-4,5-dihydro-2H-pyridin-6-yl]-1,3-thiazole-4-carboxylate
CID 24897574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (CID 10771348) is ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2csc(C(=O)CCC(C(=O)c3csc([C@H]4NC(=O)O[C@@H]4C)n3)c3nc(CO[Si](C)(C)C(C)(C)C)cs3)n2)n1.
What is the InChIKey of ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is SZIIMLYHFRVQIS-PCRBNMLWSA-N. The full InChI is InChI=1S/C31H37N5O7S4Si/c1-8-41-29(39)21-15-45-26(35-21)20-14-46-27(34-20)22(37)10-9-18(25-32-17(12-44-25)11-42-48(6,7)31(3,4)5)24(38)19-13-47-28(33-19)23-16(2)43-30(40)36-23/h12-16,18,23H,8-11H2,1-7H3,(H,36,40)/t16-,18?,23+/m1/s1.
What are the key properties of ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 748.02 g/mol, XLogP of 7.68, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-5-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-5-oxopentanoyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10771348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).