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

C27H27N7O4S2 — CID 90326660

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

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 90326660) has the molecular formula C27H27N7O4S2 and a molecular weight of 577.69 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-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
• PubChem CID: 90326660
• Molecular Formula: C27H27N7O4S2
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.16
• IUPAC Name: 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
• SMILES: CS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3)C2=O)cc1
• InChI: InChI=1S/C27H27N7O4S2/c1-40(36,37)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(39-24)32-13-15-38-16-14-32/h2-10,17H,11-16H2,1H3,(H2,28,29,30)
• InChIKey: RRXLTLFAEWPXGT-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 134.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-methylsulfonylphenyl)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-methylsulfonylphenyl)imidazolidin-2-one (CID 90326660) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)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-methylsulfonylphenyl)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-methylsulfonylphenyl)imidazolidin-2-one is CS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4sc(N5CCOCC5)nc4-c4ccnc(N)n4)c3)C2=O)cc1.

What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?

The InChIKey is RRXLTLFAEWPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4S2/c1-40(36,37)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(39-24)32-13-15-38-16-14-32/h2-10,17H,11-16H2,1H3,(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-methylsulfonylphenyl)imidazolidin-2-one?

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 577.69 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 90326660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).