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

C27H26FN7O3S — CID 90326675

IUPAC1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3F)C2=O)cc1
InChIInChI=1S/C27H26FN7O3S/c1-37-18-7-5-17(6-8-18)34-11-12-35(27(34)36)21-4-2-3-19(22(21)28)24-23(20-9-10-30-25(29)31-20)32-26(39-24)33-13-15-38-16-14-33/h2-10H,11-16H2,1H3,(H2,29,30,31)
InChIKeyAWSPPJUOBWYDDD-UHFFFAOYSA-N
MW547.62 g/mol
LogP4.28
Rot. Bonds6

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

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 90326675) has the molecular formula C27H26FN7O3S and a molecular weight of 547.62 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
PubChem CID90326675
Molecular FormulaC27H26FN7O3S
Molecular Weight547.62 g/mol
Exact Mass547.18
IUPAC Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3F)C2=O)cc1
InChIInChI=1S/C27H26FN7O3S/c1-37-18-7-5-17(6-8-18)34-11-12-35(27(34)36)21-4-2-3-19(22(21)28)24-23(20-9-10-30-25(29)31-20)32-26(39-24)33-13-15-38-16-14-33/h2-10H,11-16H2,1H3,(H2,29,30,31)
InChIKeyAWSPPJUOBWYDDD-UHFFFAOYSA-N
XLogP4.28
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)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]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one (CID 90326675) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)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]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one is COc1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3F)C2=O)cc1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is AWSPPJUOBWYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3S/c1-37-18-7-5-17(6-8-18)34-11-12-35(27(34)36)21-4-2-3-19(22(21)28)24-23(20-9-10-30-25(29)31-20)32-26(39-24)33-13-15-38-16-14-33/h2-10H,11-16H2,1H3,(H2,29,30,31).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 547.62 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 90326675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).