About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one (PubChem CID 90326677) has the molecular formula C26H22ClF2N7O2S
and a molecular weight of 570.03 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-(3-chloro-4-fluorophenyl)imidazolidin-2-one.
Molecular Properties
| Compound Name | 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one |
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| PubChem CID | 90326677 |
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| Molecular Formula | C26H22ClF2N7O2S |
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| Molecular Weight | 570.03 g/mol |
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| Exact Mass | 569.12 |
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| IUPAC Name | 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one |
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| SMILES | Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2F)n1 |
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| InChI | InChI=1S/C26H22ClF2N7O2S/c27-17-14-15(4-5-18(17)28)35-8-9-36(26(35)37)20-3-1-2-16(21(20)29)23-22(19-6-7-31-24(30)32-19)33-25(39-23)34-10-12-38-13-11-34/h1-7,14H,8-13H2,(H2,30,31,32) |
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| InChIKey | FZVXDICQQGQUIS-UHFFFAOYSA-N |
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| XLogP | 5.06 |
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| TPSA | 100.71 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 570.03 |
| LogP ≤ 5 | 5.06 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)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-(3-chloro-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]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one (CID 90326677) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-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]-2-fluorophenyl]-3-(3-chloro-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]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one is Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2F)n1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one?
The InChIKey is FZVXDICQQGQUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N7O2S/c27-17-14-15(4-5-18(17)28)35-8-9-36(26(35)37)20-3-1-2-16(21(20)29)23-22(19-6-7-31-24(30)32-19)33-25(39-23)34-10-12-38-13-11-34/h1-7,14H,8-13H2,(H2,30,31,32).
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-(3-chloro-4-fluorophenyl)imidazolidin-2-one?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one has a molecular weight of 570.03 g/mol, XLogP of 5.06, 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]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 90326677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).