4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C24H18N2O5S — CID 3152775

IUPAC4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3ccc(O)cc3)sc2c1
InChIInChI=1S/C24H18N2O5S/c1-12-3-9-16-18(11-12)32-24(25-16)26-20(14-5-7-15(27)8-6-14)19(22(29)23(26)30)21(28)17-10-4-13(2)31-17/h3-11,20,27,29H,1-2H3
InChIKeyOGACSBPYQLLQNH-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.99
Rot. Bonds4

About 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3152775) has the molecular formula C24H18N2O5S and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3152775
Molecular FormulaC24H18N2O5S
Molecular Weight446.48 g/mol
Exact Mass446.09
IUPAC Name4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3ccc(O)cc3)sc2c1
InChIInChI=1S/C24H18N2O5S/c1-12-3-9-16-18(11-12)32-24(25-16)26-20(14-5-7-15(27)8-6-14)19(22(29)23(26)30)21(28)17-10-4-13(2)31-17/h3-11,20,27,29H,1-2H3
InChIKeyOGACSBPYQLLQNH-UHFFFAOYSA-N
XLogP4.99
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 3152775) is 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3ccc(O)cc3)sc2c1.
What is the InChIKey of 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is OGACSBPYQLLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5S/c1-12-3-9-16-18(11-12)32-24(25-16)26-20(14-5-7-15(27)8-6-14)19(22(29)23(26)30)21(28)17-10-4-13(2)31-17/h3-11,20,27,29H,1-2H3.
What are the key properties of 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 446.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3152775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).