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

C22H22BrFN6O2S — CID 69331705

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

1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 69331705) has the molecular formula C22H22BrFN6O2S and a molecular weight of 533.43 g/mol. Its IUPAC name is 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 69331705
• Molecular Formula: C22H22BrFN6O2S
• Molecular Weight: 533.43 g/mol
• Exact Mass: 532.07
• IUPAC Name: 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cnc(CCc3ccc(F)cc3)s2)n1
• InChI: InChI=1S/C22H22BrFN6O2S/c1-22(2)19(31)29-21(32)30(22)10-9-25-20-27-11-15(23)18(28-20)16-12-26-17(33-16)8-5-13-3-6-14(24)7-4-13/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,25,27,28)(H,29,31,32)
• InChIKey: YHEGRSPCGWPRGW-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.43
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 69331705) is 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cnc(CCc3ccc(F)cc3)s2)n1.

What is the InChIKey of 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is YHEGRSPCGWPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFN6O2S/c1-22(2)19(31)29-21(32)30(22)10-9-25-20-27-11-15(23)18(28-20)16-12-26-17(33-16)8-5-13-3-6-14(24)7-4-13/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,25,27,28)(H,29,31,32).

What are the key properties of 1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?

1-[2-[[5-bromo-4-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 533.43 g/mol, XLogP of 4.03, 8 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-[2-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 69331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).