ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate

C18H23N3O6S2Si — CID 138857336

IUPACethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(=O)C(=O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1
InChIInChI=1S/C18H23N3O6S2Si/c1-5-26-17(24)12-10-29-16(21-12)15(23)14(22)11-9-28-13(20-11)8-19-18(25)27-6-7-30(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,25)
InChIKeyVLPYZYKDQDSJRW-UHFFFAOYSA-N
MW469.62 g/mol
LogP3.41
Rot. Bonds10

About ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate (PubChem CID 138857336) has the molecular formula C18H23N3O6S2Si and a molecular weight of 469.62 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate
PubChem CID138857336
Molecular FormulaC18H23N3O6S2Si
Molecular Weight469.62 g/mol
Exact Mass469.08
IUPAC Nameethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(=O)C(=O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1
InChIInChI=1S/C18H23N3O6S2Si/c1-5-26-17(24)12-10-29-16(21-12)15(23)14(22)11-9-28-13(20-11)8-19-18(25)27-6-7-30(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,25)
InChIKeyVLPYZYKDQDSJRW-UHFFFAOYSA-N
XLogP3.41
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-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

(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
[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 (R)-2-(1-((tert-butoxycarbonyl)amino)-1-hydroxy-2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857343
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate (CID 138857336) is ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(=O)C(=O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1.
What is the InChIKey of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate?
The InChIKey is VLPYZYKDQDSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2Si/c1-5-26-17(24)12-10-29-16(21-12)15(23)14(22)11-9-28-13(20-11)8-19-18(25)27-6-7-30(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,25).
What are the key properties of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate has a molecular weight of 469.62 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 138857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).