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

C18H16FN5O2S — CID 55846487

IUPAC5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCn1cc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cs2)cn1
InChIInChI=1S/C18H16FN5O2S/c1-18(12-3-5-13(19)6-4-12)16(25)24(17(26)22-18)9-14-10-27-15(21-14)11-7-20-23(2)8-11/h3-8,10H,9H2,1-2H3,(H,22,26)
InChIKeyNMPBFGGEHKJJKX-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.65
Rot. Bonds4

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

5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55846487) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID55846487
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCn1cc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cs2)cn1
InChIInChI=1S/C18H16FN5O2S/c1-18(12-3-5-13(19)6-4-12)16(25)24(17(26)22-18)9-14-10-27-15(21-14)11-7-20-23(2)8-11/h3-8,10H,9H2,1-2H3,(H,22,26)
InChIKeyNMPBFGGEHKJJKX-UHFFFAOYSA-N
XLogP2.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 55846487) is 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is Cn1cc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cs2)cn1.
What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is NMPBFGGEHKJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-18(12-3-5-13(19)6-4-12)16(25)24(17(26)22-18)9-14-10-27-15(21-14)11-7-20-23(2)8-11/h3-8,10H,9H2,1-2H3,(H,22,26).
What are the key properties of 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 385.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).