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

IUPAC1-[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
SMILESCOc1ccc(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
InChIInChI=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)
InChIKeyQTCHBSUORCYKHH-UHFFFAOYSA-N
MW1631.27 g/mol
LogP14.08
Rot. Bonds16

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 Name1-[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 CID160511493
Molecular FormulaC80H75ClF3N21O7S3
Molecular Weight1631.27 g/mol
Exact Mass1629.50
IUPAC Name1-[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
SMILESCOc1ccc(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
InChIInChI=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)
InChIKeyQTCHBSUORCYKHH-UHFFFAOYSA-N
XLogP14.08
TPSA311.36 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.27
LogP ≤ 514.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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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).