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

C22H16N2O5S — CID 18828737

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1csc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C)o2)n1
InChIInChI=1S/C22H16N2O5S/c1-11-10-30-22(23-11)24-18(15-8-7-12(2)28-15)17(20(26)21(24)27)19(25)16-9-13-5-3-4-6-14(13)29-16/h3-10,18,26H,1-2H3
InChIKeyJCMSPWTVMRUPMP-UHFFFAOYSA-N
MW420.45 g/mol
LogP4.88
Rot. Bonds4

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 18828737) has the molecular formula C22H16N2O5S and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one
PubChem CID18828737
Molecular FormulaC22H16N2O5S
Molecular Weight420.45 g/mol
Exact Mass420.08
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1csc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C)o2)n1
InChIInChI=1S/C22H16N2O5S/c1-11-10-30-22(23-11)24-18(15-8-7-12(2)28-15)17(20(26)21(24)27)19(25)16-9-13-5-3-4-6-14(13)29-16/h3-10,18,26H,1-2H3
InChIKeyJCMSPWTVMRUPMP-UHFFFAOYSA-N
XLogP4.88
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 3281112
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658854
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 18828735
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18828724
3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658332
3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659724
3-(1-benzofuran-2-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609405
(2R)-3-(1-benzofuran-2-carbonyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 1244515
3-(1-benzofuran-2-carbonyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 18828679
3-(1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 18828689
3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 3316709
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108696334

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one (CID 18828737) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one is Cc1csc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C)o2)n1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is JCMSPWTVMRUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5S/c1-11-10-30-22(23-11)24-18(15-8-7-12(2)28-15)17(20(26)21(24)27)19(25)16-9-13-5-3-4-6-14(13)29-16/h3-10,18,26H,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 420.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 18828737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).