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

C22H14N2O4S — CID 3830309

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H14N2O4S/c25-19(16-12-14-8-4-5-9-15(14)28-16)17-18(13-6-2-1-3-7-13)24(21(27)20(17)26)22-23-10-11-29-22/h1-12,18,26H
InChIKeyIHVLIVWYCNWQOM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.67
Rot. Bonds4

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 3830309) has the molecular formula C22H14N2O4S and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
PubChem CID3830309
Molecular FormulaC22H14N2O4S
Molecular Weight402.43 g/mol
Exact Mass402.07
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H14N2O4S/c25-19(16-12-14-8-4-5-9-15(14)28-16)17-18(13-6-2-1-3-7-13)24(21(27)20(17)26)22-23-10-11-29-22/h1-12,18,26H
InChIKeyIHVLIVWYCNWQOM-UHFFFAOYSA-N
XLogP4.67
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (CID 3830309) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is IHVLIVWYCNWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4S/c25-19(16-12-14-8-4-5-9-15(14)28-16)17-18(13-6-2-1-3-7-13)24(21(27)20(17)26)22-23-10-11-29-22/h1-12,18,26H.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 402.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 3830309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).