(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

C19H27N3O4S2Si — CID 10551651

IUPAC(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
SMILESC[C@H]1OC(=O)N[C@@H]1c1nc(C(=O)Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)cs1
InChIInChI=1S/C19H27N3O4S2Si/c1-11-16(22-18(24)26-11)17-21-13(10-28-17)14(23)7-15-20-12(9-27-15)8-25-29(5,6)19(2,3)4/h9-11,16H,7-8H2,1-6H3,(H,22,24)/t11-,16+/m1/s1
InChIKeyZWMNFODNSDJOFQ-BZNIZROVSA-N
MW453.66 g/mol
LogP4.72
Rot. Bonds7

About (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

(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 (PubChem CID 10551651) has the molecular formula C19H27N3O4S2Si and a molecular weight of 453.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10551651
Molecular FormulaC19H27N3O4S2Si
Molecular Weight453.66 g/mol
Exact Mass453.12
IUPAC Name(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
SMILESC[C@H]1OC(=O)N[C@@H]1c1nc(C(=O)Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)cs1
InChIInChI=1S/C19H27N3O4S2Si/c1-11-16(22-18(24)26-11)17-21-13(10-28-17)14(23)7-15-20-12(9-27-15)8-25-29(5,6)19(2,3)4/h9-11,16H,7-8H2,1-6H3,(H,22,24)/t11-,16+/m1/s1
InChIKeyZWMNFODNSDJOFQ-BZNIZROVSA-N
XLogP4.72
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

[2-[2-[2-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3-thiazol-4-yl]-2-oxoethyl]-1,3-thiazol-4-yl]methyl acetate
CID 135071781
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
Ethyl 2-(1-amino-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857331
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-azido-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857348
Ethyl 2-(1-((tert-butoxycarbonyl)amino)-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857351
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1OC(=O)N[C@@H]1c1nc(C(=O)Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)cs1.
What is the InChIKey of (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?
The InChIKey is ZWMNFODNSDJOFQ-BZNIZROVSA-N. The full InChI is InChI=1S/C19H27N3O4S2Si/c1-11-16(22-18(24)26-11)17-21-13(10-28-17)14(23)7-15-20-12(9-27-15)8-25-29(5,6)19(2,3)4/h9-11,16H,7-8H2,1-6H3,(H,22,24)/t11-,16+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 453.66 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10551651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).