1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

C₈₀H₇₅ClF₃N₂₁O₇S₃ — CID 160511493

About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 160511493) has the molecular formula C₈₀H₇₅ClF₃N₂₁O₇S₃ and a molecular weight of 1631.27 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
• PubChem CID: 160511493
• Molecular Formula: C₈₀H₇₅ClF₃N₂₁O₇S₃
• Molecular Weight: 1631.27 g/mol
• Exact Mass: 1629.50
• IUPAC Name: 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
• SMILES: COc1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3)C2=O)cc1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2)n1
• InChI: InChI=1S/C27H24F3N7O2S.C27H27N7O3S.C26H24ClN7O2S/c28-27(29,30)18-4-6-19(7-5-18)36-10-11-37(26(36)38)20-3-1-2-17(16-20)23-22(21-8-9-32-24(31)33-21)34-25(40-23)35-12-14-39-15-13-35;1-36-21-7-5-19(6-8-21)33-11-12-34(27(33)35)20-4-2-3-18(17-20)24-23(22-9-10-29-25(28)30-22)31-26(38-24)32-13-15-37-16-14-32;27-18-4-6-19(7-5-18)33-10-11-34(26(33)35)20-3-1-2-17(16-20)23-22(21-8-9-29-24(28)30-21)31-25(37-23)32-12-14-36-15-13-32/h1-9,16H,10-15H2,(H2,31,32,33);2-10,17H,11-16H2,1H3,(H2,28,29,30);1-9,16H,10-15H2,(H2,28,29,30)
• InChIKey: QTCHBSUORCYKHH-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 311.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.27
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 160511493) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3)C2=O)cc1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2)n1.

What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The InChIKey is QTCHBSUORCYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O2S.C27H27N7O3S.C26H24ClN7O2S/c28-27(29,30)18-4-6-19(7-5-18)36-10-11-37(26(36)38)20-3-1-2-17(16-20)23-22(21-8-9-32-24(31)33-21)34-25(40-23)35-12-14-39-15-13-35;1-36-21-7-5-19(6-8-21)33-11-12-34(27(33)35)20-4-2-3-18(17-20)24-23(22-9-10-29-25(28)30-22)31-26(38-24)32-13-15-37-16-14-32;27-18-4-6-19(7-5-18)33-10-11-34(26(33)35)20-3-1-2-17(16-20)23-22(21-8-9-29-24(28)30-21)31-25(37-23)32-12-14-36-15-13-32/h1-9,16H,10-15H2,(H2,31,32,33);2-10,17H,11-16H2,1H3,(H2,28,29,30);1-9,16H,10-15H2,(H2,28,29,30).

What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 1631.27 g/mol, XLogP of 14.08, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 160511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160511493 — identifiers, structure, computed properties (public domain)

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