4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one

C26H19N3O6S — CID 58285967

IUPAC4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one
SMILESCc1ccc(-c2csc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C26H19N3O6S/c1-14-6-9-16(10-7-14)19-13-36-26(27-19)28-22(17-4-3-5-18(12-17)29(33)34)21(24(31)25(28)32)23(30)20-11-8-15(2)35-20/h3-13,22,31H,1-2H3
InChIKeyUZYOTORIMVURHR-UHFFFAOYSA-N
MW501.52 g/mol
LogP5.71
Rot. Bonds6

About 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one

4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one (PubChem CID 58285967) has the molecular formula C26H19N3O6S and a molecular weight of 501.52 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one
PubChem CID58285967
Molecular FormulaC26H19N3O6S
Molecular Weight501.52 g/mol
Exact Mass501.10
IUPAC Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one
SMILESCc1ccc(-c2csc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3cccc([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C26H19N3O6S/c1-14-6-9-16(10-7-14)19-13-36-26(27-19)28-22(17-4-3-5-18(12-17)29(33)34)21(24(31)25(28)32)23(30)20-11-8-15(2)35-20/h3-13,22,31H,1-2H3
InChIKeyUZYOTORIMVURHR-UHFFFAOYSA-N
XLogP5.71
TPSA126.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18814013
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18828724
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2H-pyrrol-5-one
CID 58285998
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18815366
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793503
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037417
(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 7473784
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-nitrofuran-2-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023292
(2S)-3-acetyl-1-(1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 7478389
5-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1247348
1-(6-ethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3734046
1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4711277

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one (CID 58285967) is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one is Cc1ccc(-c2csc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3cccc([N+](=O)[O-])c3)n2)cc1.
What is the InChIKey of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The InChIKey is UZYOTORIMVURHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O6S/c1-14-6-9-16(10-7-14)19-13-36-26(27-19)28-22(17-4-3-5-18(12-17)29(33)34)21(24(31)25(28)32)23(30)20-11-8-15(2)35-20/h3-13,22,31H,1-2H3.
What are the key properties of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one has a molecular weight of 501.52 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58285967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).