1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C21H20BrFN6O2S — CID 11569891

IUPAC1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2ncc(Cc3ccc(F)cc3)s2)n1
InChIInChI=1S/C21H20BrFN6O2S/c1-21(2)18(30)28-20(31)29(21)8-7-24-19-26-11-15(22)16(27-19)17-25-10-14(32-17)9-12-3-5-13(23)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,24,26,27)(H,28,30,31)
InChIKeySIVJETKFJJRWSZ-UHFFFAOYSA-N
MW519.40 g/mol
LogP3.83
Rot. Bonds7

About 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 11569891) has the molecular formula C21H20BrFN6O2S and a molecular weight of 519.40 g/mol. Its IUPAC name is 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID11569891
Molecular FormulaC21H20BrFN6O2S
Molecular Weight519.40 g/mol
Exact Mass518.05
IUPAC Name1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2ncc(Cc3ccc(F)cc3)s2)n1
InChIInChI=1S/C21H20BrFN6O2S/c1-21(2)18(30)28-20(31)29(21)8-7-24-19-26-11-15(22)16(27-19)17-25-10-14(32-17)9-12-3-5-13(23)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,24,26,27)(H,28,30,31)
InChIKeySIVJETKFJJRWSZ-UHFFFAOYSA-N
XLogP3.83
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 11569891) is 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2ncc(Cc3ccc(F)cc3)s2)n1.
What is the InChIKey of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SIVJETKFJJRWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN6O2S/c1-21(2)18(30)28-20(31)29(21)8-7-24-19-26-11-15(22)16(27-19)17-25-10-14(32-17)9-12-3-5-13(23)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,24,26,27)(H,28,30,31).
What are the key properties of 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 519.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-bromo-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 11569891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).