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

C52H46Cl3F3N12O2S2 — CID 158218724

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

1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 158218724) has the molecular formula C52H46Cl3F3N12O2S2 and a molecular weight of 1098.51 g/mol. Its IUPAC name is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
• PubChem CID: 158218724
• Molecular Formula: C52H46Cl3F3N12O2S2
• Molecular Weight: 1098.51 g/mol
• Exact Mass: 1096.23
• IUPAC Name: 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
• SMILES: CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)s1
• InChI: InChI=1S/C26H23Cl2FN6OS.C26H23ClF2N6OS/c1-26(2,3)23-33-21(19-8-9-31-24(30)32-19)22(37-23)14-4-7-18(29)20(12-14)35-11-10-34(25(35)36)15-5-6-16(27)17(28)13-15;1-26(2,3)23-33-21(18-8-9-31-24(30)32-18)22(37-23)14-4-6-17(29)20(12-14)35-11-10-34(25(35)36)19-7-5-15(28)13-16(19)27/h2*4-9,12-13H,10-11H2,1-3H3,(H2,30,31,32)
• InChIKey: GCZFRXCQFSGBBP-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 176.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1098.51
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 158218724) is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(F)cc4Cl)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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The InChIKey is GCZFRXCQFSGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN6OS.C26H23ClF2N6OS/c1-26(2,3)23-33-21(19-8-9-31-24(30)32-19)22(37-23)14-4-7-18(29)20(12-14)35-11-10-34(25(35)36)15-5-6-16(27)17(28)13-15;1-26(2,3)23-33-21(18-8-9-31-24(30)32-18)22(37-23)14-4-6-17(29)20(12-14)35-11-10-34(25(35)36)19-7-5-15(28)13-16(19)27/h2*4-9,12-13H,10-11H2,1-3H3,(H2,30,31,32).

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

1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 1098.51 g/mol, XLogP of 13.56, 8 rotatable bonds, 2 hydrogen bond donors, and 12 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-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 158218724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).