4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

C20H13F2N3O3S — CID 4747685

IUPAC4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
SMILESCc1nnc(N2C(=O)C(=O)C(C(=O)c3ccc(F)cc3)C2c2ccccc2F)s1
InChIInChI=1S/C20H13F2N3O3S/c1-10-23-24-20(29-10)25-16(13-4-2-3-5-14(13)22)15(18(27)19(25)28)17(26)11-6-8-12(21)9-7-11/h2-9,15-16H,1H3
InChIKeyUHRMFOVEELEBKE-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.28
Rot. Bonds4

About 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione (PubChem CID 4747685) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
PubChem CID4747685
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC Name4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
SMILESCc1nnc(N2C(=O)C(=O)C(C(=O)c3ccc(F)cc3)C2c2ccccc2F)s1
InChIInChI=1S/C20H13F2N3O3S/c1-10-23-24-20(29-10)25-16(13-4-2-3-5-14(13)22)15(18(27)19(25)28)17(26)11-6-8-12(21)9-7-11/h2-9,15-16H,1H3
InChIKeyUHRMFOVEELEBKE-UHFFFAOYSA-N
XLogP3.28
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorobenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 4747601
4-benzoyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
CID 4747707
4-(4-methylbenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 91896456
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
5-(4-tert-butylphenyl)-4-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 4747666
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 6078541
4-[3-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]-N,N-dimethylbenzamide
CID 123282988
5-(3,4-dichlorophenyl)-4-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 4747665
3-[3-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]-N-methylbenzamide
CID 123209083
4-(4-methoxybenzoyl)-5-[4-(methoxymethyl)phenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 123577178
3-[3-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]-N,N-dimethylbenzamide
CID 123205937
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 5211506

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione (CID 4747685) is 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is Cc1nnc(N2C(=O)C(=O)C(C(=O)c3ccc(F)cc3)C2c2ccccc2F)s1.
What is the InChIKey of 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
The InChIKey is UHRMFOVEELEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c1-10-23-24-20(29-10)25-16(13-4-2-3-5-14(13)22)15(18(27)19(25)28)17(26)11-6-8-12(21)9-7-11/h2-9,15-16H,1H3.
What are the key properties of 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione?
4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione has a molecular weight of 413.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 4747685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).