5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione

C26H22N2O6S — CID 44510876

IUPAC5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
SMILESCCc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3cc(OC)ccc3OC)sc2c1
InChIInChI=1S/C26H22N2O6S/c1-4-14-7-9-17-20(12-14)35-26(27-17)28-22(16-13-15(32-2)8-10-18(16)33-3)21(24(30)25(28)31)23(29)19-6-5-11-34-19/h5-13,21-22H,4H2,1-3H3
InChIKeyFVVMHPVCZCTJNB-UHFFFAOYSA-N
MW490.54 g/mol
LogP4.62
Rot. Bonds7

About 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione

5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione (PubChem CID 44510876) has the molecular formula C26H22N2O6S and a molecular weight of 490.54 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
PubChem CID44510876
Molecular FormulaC26H22N2O6S
Molecular Weight490.54 g/mol
Exact Mass490.12
IUPAC Name5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
SMILESCCc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3cc(OC)ccc3OC)sc2c1
InChIInChI=1S/C26H22N2O6S/c1-4-14-7-9-17-20(12-14)35-26(27-17)28-22(16-13-15(32-2)8-10-18(16)33-3)21(24(30)25(28)31)23(29)19-6-5-11-34-19/h5-13,21-22H,4H2,1-3H3
InChIKeyFVVMHPVCZCTJNB-UHFFFAOYSA-N
XLogP4.62
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 1288512
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxybenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 3383739
(5R)-5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
CID 40870384
4-benzoyl-5-(3-chlorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 3383735
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 1081166
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 3152765
1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 3696732
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
CID 3423069
2-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3831782
2-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3394443
3-(furan-2-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 3411969
2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 3803190

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione (CID 44510876) is 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione is CCc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3cc(OC)ccc3OC)sc2c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is FVVMHPVCZCTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6S/c1-4-14-7-9-17-20(12-14)35-26(27-17)28-22(16-13-15(32-2)8-10-18(16)33-3)21(24(30)25(28)31)23(29)19-6-5-11-34-19/h5-13,21-22H,4H2,1-3H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 490.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 44510876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).