About [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 11585213) has the molecular formula C33H30F3N5OS
and a molecular weight of 601.70 g/mol. Its IUPAC name is [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
Molecular Properties
| Compound Name | [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone |
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| PubChem CID | 11585213 |
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| Molecular Formula | C33H30F3N5OS |
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| Molecular Weight | 601.70 g/mol |
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| Exact Mass | 601.21 |
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| IUPAC Name | [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone |
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| SMILES | CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C |
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| InChI | InChI=1S/C33H30F3N5OS/c1-3-41-21(2)29(27-10-6-7-17-37-27)39-30(41)28-20-43-31(38-28)23-15-18-40(19-16-23)32(42)26-9-5-4-8-25(26)22-11-13-24(14-12-22)33(34,35)36/h4-14,17,20,23H,3,15-16,18-19H2,1-2H3 |
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| InChIKey | XXEGFZUMYHPFQW-UHFFFAOYSA-N |
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| XLogP | 8.10 |
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| TPSA | 63.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 601.70 |
| LogP ≤ 5 | 8.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 11585213) is [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C.
What is the InChIKey of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is XXEGFZUMYHPFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N5OS/c1-3-41-21(2)29(27-10-6-7-17-37-27)39-30(41)28-20-43-31(38-28)23-15-18-40(19-16-23)32(42)26-9-5-4-8-25(26)22-11-13-24(14-12-22)33(34,35)36/h4-14,17,20,23H,3,15-16,18-19H2,1-2H3.
What are the key properties of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 601.70 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 11585213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).