ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

C20H16N2O7S — CID 2908742

IUPACethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)nc1C
InChIInChI=1S/C20H16N2O7S/c1-3-27-19(26)17-10(2)21-20(30-17)22-14(11-6-4-8-28-11)13(16(24)18(22)25)15(23)12-7-5-9-29-12/h4-9,14,24H,3H2,1-2H3
InChIKeyZGXREWNPPLHHFW-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2908742) has the molecular formula C20H16N2O7S and a molecular weight of 428.42 g/mol. Its IUPAC name is ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2908742
Molecular FormulaC20H16N2O7S
Molecular Weight428.42 g/mol
Exact Mass428.07
IUPAC Nameethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)nc1C
InChIInChI=1S/C20H16N2O7S/c1-3-27-19(26)17-10(2)21-20(30-17)22-14(11-6-4-8-28-11)13(16(24)18(22)25)15(23)12-7-5-9-29-12/h4-9,14,24H,3H2,1-2H3
InChIKeyZGXREWNPPLHHFW-UHFFFAOYSA-N
XLogP3.60
TPSA123.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 2908742) is ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccco2)nc1C.
What is the InChIKey of ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZGXREWNPPLHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O7S/c1-3-27-19(26)17-10(2)21-20(30-17)22-14(11-6-4-8-28-11)13(16(24)18(22)25)15(23)12-7-5-9-29-12/h4-9,14,24H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 428.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2908742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).