3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

C15H14FN3O2S — CID 71870438

IUPAC3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2csc(CN3C(=O)CNC3=O)n2)cc(C)c1F
InChIInChI=1S/C15H14FN3O2S/c1-8-3-10(4-9(2)14(8)16)11-7-22-12(18-11)6-19-13(20)5-17-15(19)21/h3-4,7H,5-6H2,1-2H3,(H,17,21)
InChIKeyNKKYOSIFARXSIZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.62
Rot. Bonds3

About 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 71870438) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID71870438
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2csc(CN3C(=O)CNC3=O)n2)cc(C)c1F
InChIInChI=1S/C15H14FN3O2S/c1-8-3-10(4-9(2)14(8)16)11-7-22-12(18-11)6-19-13(20)5-17-15(19)21/h3-4,7H,5-6H2,1-2H3,(H,17,21)
InChIKeyNKKYOSIFARXSIZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
3-(4-Phenyl-1,3-thiazol-2-yl)-2-thioxo-4-imidazolidinone
CID 899465
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2464991
N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46942841
N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 46943151
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 127047312
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047512
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047513
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047514
N-[(E)-2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]piperidine-1-carboxamide
CID 137637355

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 71870438) is 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is Cc1cc(-c2csc(CN3C(=O)CNC3=O)n2)cc(C)c1F.
What is the InChIKey of 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is NKKYOSIFARXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-8-3-10(4-9(2)14(8)16)11-7-22-12(18-11)6-19-13(20)5-17-15(19)21/h3-4,7H,5-6H2,1-2H3,(H,17,21).
What are the key properties of 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71870438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).