1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one

C26H24FN7O2S — CID 90326662

IUPAC1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(F)cc4)C3=O)c2)n1
InChIInChI=1S/C26H24FN7O2S/c27-18-4-6-19(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,(H2,28,29,30)
InChIKeySAWRXZVGIIJWHS-UHFFFAOYSA-N
MW517.59 g/mol
LogP4.27
Rot. Bonds5

About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one (PubChem CID 90326662) has the molecular formula C26H24FN7O2S and a molecular weight of 517.59 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-fluorophenyl)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-fluorophenyl)imidazolidin-2-one
PubChem CID90326662
Molecular FormulaC26H24FN7O2S
Molecular Weight517.59 g/mol
Exact Mass517.17
IUPAC Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(F)cc4)C3=O)c2)n1
InChIInChI=1S/C26H24FN7O2S/c27-18-4-6-19(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,(H2,28,29,30)
InChIKeySAWRXZVGIIJWHS-UHFFFAOYSA-N
XLogP4.27
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-fluorophenyl)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-fluorophenyl)imidazolidin-2-one (CID 90326662) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)imidazolidin-2-one is Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(F)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-fluorophenyl)imidazolidin-2-one?
The InChIKey is SAWRXZVGIIJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2S/c27-18-4-6-19(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,(H2,28,29,30).
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-fluorophenyl)imidazolidin-2-one?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one has a molecular weight of 517.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 90326662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).