4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

C16H16N2OS — CID 168685050

IUPAC4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C16H16N2OS/c1-3-12-8-16(19)18(9-12)14-6-4-13(5-7-14)15-10-20-11(2)17-15/h3-7,10,12H,1,8-9H2,2H3
InChIKeyFUTGIXHGCLVHAD-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.66
Rot. Bonds3

About 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 168685050) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID168685050
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C16H16N2OS/c1-3-12-8-16(19)18(9-12)14-6-4-13(5-7-14)15-10-20-11(2)17-15/h3-7,10,12H,1,8-9H2,2H3
InChIKeyFUTGIXHGCLVHAD-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chloropyrrolidin-2-one
CID 168689905
4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168684859
ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168699991
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (CID 168685050) is 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(-c3csc(C)n3)cc2)C1.
What is the InChIKey of 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is FUTGIXHGCLVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-12-8-16(19)18(9-12)14-6-4-13(5-7-14)15-10-20-11(2)17-15/h3-7,10,12H,1,8-9H2,2H3.
What are the key properties of 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168685050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).