1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

C79H74ClF5N18O5S4 — CID 159984076

About 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 159984076) has the molecular formula C79H74ClF5N18O5S4 and a molecular weight of 1614.29 g/mol. Its IUPAC name is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
• PubChem CID: 159984076
• Molecular Formula: C79H74ClF5N18O5S4
• Molecular Weight: 1614.29 g/mol
• Exact Mass: 1612.46
• IUPAC Name: 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
• SMILES: CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(S(C)(=O)=O)cc4)C3=O)c2)s1
• InChI: InChI=1S/C27H27FN6O3S2.C26H23ClF2N6OS.C26H24F2N6OS/c1-27(2,3)24-32-22(20-11-12-30-25(29)31-20)23(38-24)16-5-10-19(28)21(15-16)34-14-13-33(26(34)35)17-6-8-18(9-7-17)39(4,36)37;1-26(2,3)23-33-21(19-8-9-31-24(30)32-19)22(37-23)14-4-6-18(29)20(12-14)35-11-10-34(25(35)36)15-5-7-17(28)16(27)13-15;1-26(2,3)23-32-21(19-10-11-30-24(29)31-19)22(36-23)15-4-9-18(28)20(14-15)34-13-12-33(25(34)35)17-7-5-16(27)6-8-17/h5-12,15H,13-14H2,1-4H3,(H2,29,30,31);4-9,12-13H,10-11H2,1-3H3,(H2,30,31,32);4-11,14H,12-13H2,1-3H3,(H2,29,30,31)
• InChIKey: OGCNDTHKIBSYIL-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 298.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.29
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?

The IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (CID 159984076) is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.

What is the SMILES notation for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?

The canonical SMILES for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(S(C)(=O)=O)cc4)C3=O)c2)s1.

What is the InChIKey of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?

The InChIKey is OGCNDTHKIBSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3S2.C26H23ClF2N6OS.C26H24F2N6OS/c1-27(2,3)24-32-22(20-11-12-30-25(29)31-20)23(38-24)16-5-10-19(28)21(15-16)34-14-13-33(26(34)35)17-6-8-18(9-7-17)39(4,36)37;1-26(2,3)23-33-21(19-8-9-31-24(30)32-19)22(37-23)14-4-6-18(29)20(12-14)35-11-10-34(25(35)36)15-5-7-17(28)16(27)13-15;1-26(2,3)23-32-21(19-10-11-30-24(29)31-19)22(36-23)15-4-9-18(28)20(14-15)34-13-12-33(25(34)35)17-7-5-16(27)6-8-17/h5-12,15H,13-14H2,1-4H3,(H2,29,30,31);4-9,12-13H,10-11H2,1-3H3,(H2,30,31,32);4-11,14H,12-13H2,1-3H3,(H2,29,30,31).

What are the key properties of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?

1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 1614.29 g/mol, XLogP of 17.53, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 159984076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).