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

C15H14N2O4S — CID 43817550

IUPAC1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(-c2csc(N3C(=O)CCC3=O)n2)c1
InChIInChI=1S/C15H14N2O4S/c1-20-9-3-4-12(21-2)10(7-9)11-8-22-15(16-11)17-13(18)5-6-14(17)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZWEZOUCHOFTBHX-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.48
Rot. Bonds4

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

1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione (PubChem CID 43817550) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
PubChem CID43817550
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(-c2csc(N3C(=O)CCC3=O)n2)c1
InChIInChI=1S/C15H14N2O4S/c1-20-9-3-4-12(21-2)10(7-9)11-8-22-15(16-11)17-13(18)5-6-14(17)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZWEZOUCHOFTBHX-UHFFFAOYSA-N
XLogP2.48
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
CID 3325965
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
CID 45151510
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
4-[[2-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 137174992

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione (CID 43817550) is 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione is COc1ccc(OC)c(-c2csc(N3C(=O)CCC3=O)n2)c1.
What is the InChIKey of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione?
The InChIKey is ZWEZOUCHOFTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-20-9-3-4-12(21-2)10(7-9)11-8-22-15(16-11)17-13(18)5-6-14(17)19/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione?
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione has a molecular weight of 318.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43817550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).