4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione

C18H17FN2O3S — CID 91601177

IUPAC4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(C(=O)c2ncc(Cc3ccc(F)cc3)s2)C(=O)C1=O
InChIInChI=1S/C18H17FN2O3S/c1-10(2)21-9-14(16(23)18(21)24)15(22)17-20-8-13(25-17)7-11-3-5-12(19)6-4-11/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyLNDSUJQFRUHITA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.49
Rot. Bonds5

About 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione

4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 91601177) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
PubChem CID91601177
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(C(=O)c2ncc(Cc3ccc(F)cc3)s2)C(=O)C1=O
InChIInChI=1S/C18H17FN2O3S/c1-10(2)21-9-14(16(23)18(21)24)15(22)17-20-8-13(25-17)7-11-3-5-12(19)6-4-11/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyLNDSUJQFRUHITA-UHFFFAOYSA-N
XLogP2.49
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(4-fluorophenyl)methyl]imidazole-4-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91429221
4-[5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91152055
(4R)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-[(1R)-1-methoxyethyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69087052
N-[1-[(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]propan-2-yl]-N-methylacetamide
CID 69087123
N-[2-[(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]ethyl]-N-methylacetamide
CID 69087099
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
CID 167942186
(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,4-dimethyl-1,8-dioxo-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086910
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
CID 141200208
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione
CID 91100619
(4S)-4-(3-cyclopropylpropanoyl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-methyl-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-1,8-dione
CID 152863221
4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione
CID 91567014
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
CID 90847780

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione (CID 91601177) is 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione is CC(C)N1CC(C(=O)c2ncc(Cc3ccc(F)cc3)s2)C(=O)C1=O.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is LNDSUJQFRUHITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-10(2)21-9-14(16(23)18(21)24)15(22)17-20-8-13(25-17)7-11-3-5-12(19)6-4-11/h3-6,8,10,14H,7,9H2,1-2H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione?
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 360.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91601177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).