3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione

C19H19F3N2O2S — CID 112828165

IUPAC3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O
InChIInChI=1S/C19H19F3N2O2S/c1-3-18(4-2)9-15(25)24(17(18)26)10-14-11-27-16(23-14)12-5-7-13(8-6-12)19(20,21)22/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyIQBFPZFJDPBDJL-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.89
Rot. Bonds5

About 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 112828165) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID112828165
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O
InChIInChI=1S/C19H19F3N2O2S/c1-3-18(4-2)9-15(25)24(17(18)26)10-14-11-27-16(23-14)12-5-7-13(8-6-12)19(20,21)22/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyIQBFPZFJDPBDJL-UHFFFAOYSA-N
XLogP4.89
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.89
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 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 112828165) is 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is IQBFPZFJDPBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-3-18(4-2)9-15(25)24(17(18)26)10-14-11-27-16(23-14)12-5-7-13(8-6-12)19(20,21)22/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 396.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 112828165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).