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

C17H24N4O5S2 — CID 138857349

IUPACethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C17H24N4O5S2/c1-5-25-15(23)10-8-28-14(21-10)12(18)13(22)9-7-27-11(20-9)6-19-16(24)26-17(2,3)4/h7-8,12-13,22H,5-6,18H2,1-4H3,(H,19,24)
InChIKeyDNSOSLMRSGLWIG-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.53
Rot. Bonds7

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

ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 138857349) has the molecular formula C17H24N4O5S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
PubChem CID138857349
Molecular FormulaC17H24N4O5S2
Molecular Weight428.54 g/mol
Exact Mass428.12
IUPAC Nameethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C17H24N4O5S2/c1-5-25-15(23)10-8-28-14(21-10)12(18)13(22)9-7-27-11(20-9)6-19-16(24)26-17(2,3)4/h7-8,12-13,22H,5-6,18H2,1-4H3,(H,19,24)
InChIKeyDNSOSLMRSGLWIG-UHFFFAOYSA-N
XLogP2.53
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S,5R)-4-[[(1S,2R)-2-hydroxy-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)propyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11419729
[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-(1-amino-2-hydroxy-2-(2-((((2-(trimethylsilyl)ethoxy)carbonyl)amino)methyl)thiazol-4-yl)ethyl)thiazole-4-carboxylate
CID 138857331
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-((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
Ethyl 2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
CID 53692287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]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-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (CID 138857349) is ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]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-methylpropan-2-yl)oxycarbonylamino]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-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(N)C(O)c2csc(CNC(=O)OC(C)(C)C)n2)n1.
What is the InChIKey of ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is DNSOSLMRSGLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S2/c1-5-25-15(23)10-8-28-14(21-10)12(18)13(22)9-7-27-11(20-9)6-19-16(24)26-17(2,3)4/h7-8,12-13,22H,5-6,18H2,1-4H3,(H,19,24).
What are the key properties of ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-amino-2-hydroxy-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 428.54 g/mol, XLogP of 2.53, 7 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-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 138857349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).