4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

C24H18N2O4S2 — CID 58286173

IUPAC4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)s4)C3c3ccccc3)sc2c1
InChIInChI=1S/C24H18N2O4S2/c1-13-8-11-17(31-13)21(27)19-20(14-6-4-3-5-7-14)26(23(29)22(19)28)24-25-16-10-9-15(30-2)12-18(16)32-24/h3-12,20,28H,1-2H3
InChIKeyWORPTVCZZLYPIT-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.46
Rot. Bonds5

About 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 58286173) has the molecular formula C24H18N2O4S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID58286173
Molecular FormulaC24H18N2O4S2
Molecular Weight462.55 g/mol
Exact Mass462.07
IUPAC Name4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)s4)C3c3ccccc3)sc2c1
InChIInChI=1S/C24H18N2O4S2/c1-13-8-11-17(31-13)21(27)19-20(14-6-4-3-5-7-14)26(23(29)22(19)28)24-25-16-10-9-15(30-2)12-18(16)32-24/h3-12,20,28H,1-2H3
InChIKeyWORPTVCZZLYPIT-UHFFFAOYSA-N
XLogP5.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-4-hydroxy-3-(5-methylthiophene-2-carbonyl)-2H-pyrrol-5-one
CID 58286177
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethylphenyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 4734606
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 4734655
2-(4-butoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 4734611
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108698268
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 4734784
3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 3325391
4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108709420
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 3152765
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 1081166
4-hydroxy-2-(4-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3470799
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 4864493

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (CID 58286173) is 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)s4)C3c3ccccc3)sc2c1.
What is the InChIKey of 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is WORPTVCZZLYPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S2/c1-13-8-11-17(31-13)21(27)19-20(14-6-4-3-5-7-14)26(23(29)22(19)28)24-25-16-10-9-15(30-2)12-18(16)32-24/h3-12,20,28H,1-2H3.
What are the key properties of 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?
4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 462.55 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylthiophene-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 58286173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).