1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione

C11H12N2O2S — CID 61474404

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione
SMILESCCc1nc(N2C(=O)C=C(C)C2=O)sc1C
InChIInChI=1S/C11H12N2O2S/c1-4-8-7(3)16-11(12-8)13-9(14)5-6(2)10(13)15/h5H,4H2,1-3H3
InChIKeyXGVMEPALUBKZGP-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione (PubChem CID 61474404) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione
PubChem CID61474404
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione
SMILESCCc1nc(N2C(=O)C=C(C)C2=O)sc1C
InChIInChI=1S/C11H12N2O2S/c1-4-8-7(3)16-11(12-8)13-9(14)5-6(2)10(13)15/h5H,4H2,1-3H3
InChIKeyXGVMEPALUBKZGP-UHFFFAOYSA-N
XLogP1.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione (CID 61474404) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione is CCc1nc(N2C(=O)C=C(C)C2=O)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is XGVMEPALUBKZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-4-8-7(3)16-11(12-8)13-9(14)5-6(2)10(13)15/h5H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 236.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61474404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).