4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

C17H16N2O5S — CID 91897799

IUPAC4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1
InChIInChI=1S/C17H16N2O5S/c1-9(20)13-14(11-5-4-10(23-2)8-12(11)24-3)19(16(22)15(13)21)17-18-6-7-25-17/h4-8,13-14H,1-3H3
InChIKeyWXFQKXPFULXBLO-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.02
Rot. Bonds5

About 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione (PubChem CID 91897799) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
PubChem CID91897799
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1
InChIInChI=1S/C17H16N2O5S/c1-9(20)13-14(11-5-4-10(23-2)8-12(11)24-3)19(16(22)15(13)21)17-18-6-7-25-17/h4-8,13-14H,1-3H3
InChIKeyWXFQKXPFULXBLO-UHFFFAOYSA-N
XLogP2.02
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The IUPAC name of 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione (CID 91897799) is 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is COc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1.
What is the InChIKey of 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The InChIKey is WXFQKXPFULXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-9(20)13-14(11-5-4-10(23-2)8-12(11)24-3)19(16(22)15(13)21)17-18-6-7-25-17/h4-8,13-14H,1-3H3.
What are the key properties of 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione has a molecular weight of 360.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-(2,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91897799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).