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

C18H28N4O5S2Si — CID 138857331

IUPACethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1
InChIInChI=1S/C18H28N4O5S2Si/c1-5-26-17(24)12-10-29-16(22-12)14(19)15(23)11-9-28-13(21-11)8-20-18(25)27-6-7-30(2,3)4/h9-10,14-15,23H,5-8,19H2,1-4H3,(H,20,25)
InChIKeyBKHPWPJLXDYXTG-UHFFFAOYSA-N
MW472.67 g/mol
LogP3.07
Rot. Bonds10

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

ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 138857331) has the molecular formula C18H28N4O5S2Si and a molecular weight of 472.67 g/mol. Its IUPAC name is ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
PubChem CID138857331
Molecular FormulaC18H28N4O5S2Si
Molecular Weight472.67 g/mol
Exact Mass472.13
IUPAC Nameethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1
InChIInChI=1S/C18H28N4O5S2Si/c1-5-26-17(24)12-10-29-16(22-12)14(19)15(23)11-9-28-13(21-11)8-20-18(25)27-6-7-30(2,3)4/h9-10,14-15,23H,5-8,19H2,1-4H3,(H,20,25)
InChIKeyBKHPWPJLXDYXTG-UHFFFAOYSA-N
XLogP3.07
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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
[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
Ethyl 2-(2-oxo-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)acetyl)thiazole-4-carboxylate
CID 138857336
Methyl 2-(1-azido-2-(2-((3-(1-((tert-butoxycarbonyl)amino)cyclopropyl)-3-oxopropanamido)methyl)thiazol-4-yl)-2-hydroxyethyl)thiazole-4-carboxylate
CID 138857338
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
Methyl 2-(1-azido-2-(2-(((tert-butoxycarbonyl)amino)methyl)thiazol-4-yl)-2-hydroxyethyl)thiazole-4-carboxylate
CID 138857345
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-amino-2-(2-(((tert-butoxycarbonyl)amino)methyl)thiazol-4-yl)-2-hydroxyethyl)thiazole-4-carboxylate
CID 138857349
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
[4-[2-Azido-1-hydroxy-2-(4-methoxycarbonyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-yl]methylazanium chloride
CID 138857355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (CID 138857331) is ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1.
What is the InChIKey of ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is BKHPWPJLXDYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S2Si/c1-5-26-17(24)12-10-29-16(22-12)14(19)15(23)11-9-28-13(21-11)8-20-18(25)27-6-7-30(2,3)4/h9-10,14-15,23H,5-8,19H2,1-4H3,(H,20,25).
What are the key properties of ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 472.67 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-amino-2-hydroxy-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 138857331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).