2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C20H16N2O5S2 — CID 91973263

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)ccc1O
InChIInChI=1S/C20H16N2O5S2/c1-2-27-13-10-11(5-6-12(13)23)16-15(17(24)14-4-3-8-28-14)18(25)19(26)22(16)20-21-7-9-29-20/h3-10,16,23,25H,2H2,1H3
InChIKeyJLWNEJBCHYKSCS-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.09
Rot. Bonds6

About 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 91973263) has the molecular formula C20H16N2O5S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID91973263
Molecular FormulaC20H16N2O5S2
Molecular Weight428.49 g/mol
Exact Mass428.05
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)ccc1O
InChIInChI=1S/C20H16N2O5S2/c1-2-27-13-10-11(5-6-12(13)23)16-15(17(24)14-4-3-8-28-14)18(25)19(26)22(16)20-21-7-9-29-20/h3-10,16,23,25H,2H2,1H3
InChIKeyJLWNEJBCHYKSCS-UHFFFAOYSA-N
XLogP4.09
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3379279
(2S)-4-hydroxy-2-(3-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037363
(2R)-2-(3-bromophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037370
(2S)-2-(3-bromophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037371
2-(3-ethoxy-4-methoxyphenyl)-1-(4-ethylphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108703748
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1387516
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3372731
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108700482
(2S)-2-(2,4-dichlorophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037404
2-(3,4-diethoxyphenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3372843
(2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 27304806
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3794945

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 91973263) is 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is JLWNEJBCHYKSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S2/c1-2-27-13-10-11(5-6-12(13)23)16-15(17(24)14-4-3-8-28-14)18(25)19(26)22(16)20-21-7-9-29-20/h3-10,16,23,25H,2H2,1H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 428.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 91973263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).