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

C18H12N2O5S — CID 91973237

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1O)c1ccco1
InChIInChI=1S/C18H12N2O5S/c21-11-5-2-1-4-10(11)14-13(15(22)12-6-3-8-25-12)16(23)17(24)20(14)18-19-7-9-26-18/h1-9,14,21,23H
InChIKeyQAKTVXQWIRYDJP-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.22
Rot. Bonds4

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

3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 91973237) has the molecular formula C18H12N2O5S and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
PubChem CID91973237
Molecular FormulaC18H12N2O5S
Molecular Weight368.37 g/mol
Exact Mass368.05
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1O)c1ccco1
InChIInChI=1S/C18H12N2O5S/c21-11-5-2-1-4-10(11)14-13(15(22)12-6-3-8-25-12)16(23)17(24)20(14)18-19-7-9-26-18/h1-9,14,21,23H
InChIKeyQAKTVXQWIRYDJP-UHFFFAOYSA-N
XLogP3.22
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037413
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037417
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 18828746
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 5241456
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 40906808
1-(1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594512
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 3281112
(2S)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 40969311
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
2-(4-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023194
(2S)-2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 1334576
2-(5-bromothiophen-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023192

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (CID 91973237) is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1O)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is QAKTVXQWIRYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5S/c21-11-5-2-1-4-10(11)14-13(15(22)12-6-3-8-25-12)16(23)17(24)20(14)18-19-7-9-26-18/h1-9,14,21,23H.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 368.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 91973237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).