ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate

C16H23NO6S — CID 139413519

IUPACethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(COC(=O)OC(C)(C)C)o2)N1
InChIInChI=1S/C16H23NO6S/c1-5-20-14(18)11-9-24-13(17-11)12-7-6-10(22-12)8-21-15(19)23-16(2,3)4/h6-7,11,13,17H,5,8-9H2,1-4H3
InChIKeyIORQZUJGBQXUFR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate

ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate (PubChem CID 139413519) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate
PubChem CID139413519
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(COC(=O)OC(C)(C)C)o2)N1
InChIInChI=1S/C16H23NO6S/c1-5-20-14(18)11-9-24-13(17-11)12-7-6-10(22-12)8-21-15(19)23-16(2,3)4/h6-7,11,13,17H,5,8-9H2,1-4H3
InChIKeyIORQZUJGBQXUFR-UHFFFAOYSA-N
XLogP3.00
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

5-ethylfuran-2-carbaldehyde;ethyl 2-[5-(hydroxymethyl)furan-2-yl]-1,3-thiazolidine-4-carboxylate;5-(hydroxymethyl)furan-2-carbaldehyde;5-methylfuran-2-carbaldehyde
CID 159832049
(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773986
ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 12748111
ethyl (2R,4R)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000704
tert-butyl (5-ethenylfuran-2-yl)methyl carbonate
CID 147536006
2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 19615268
ethyl (2S,4S)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000641
ethyl (2S,4R)-2-(2-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000702
4-O-tert-butyl 2-O-ethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
CID 30772136
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
ethyl 2-(2-phenylpropyl)-1,3-thiazolidine-4-carboxylate
CID 177001709
2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate (CID 139413519) is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(c2ccc(COC(=O)OC(C)(C)C)o2)N1.
What is the InChIKey of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is IORQZUJGBQXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-5-20-14(18)11-9-24-13(17-11)12-7-6-10(22-12)8-21-15(19)23-16(2,3)4/h6-7,11,13,17H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate?
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 139413519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).