About 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide
2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide (PubChem CID 59296144) has the molecular formula C19H15F4N3O2S
and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide.
Molecular Properties
| Compound Name | 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide |
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| PubChem CID | 59296144 |
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| Molecular Formula | C19H15F4N3O2S |
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| Molecular Weight | 425.41 g/mol |
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| Exact Mass | 425.08 |
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| IUPAC Name | 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide |
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| SMILES | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(/C(N)=N/O)c(F)c1 |
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| InChI | InChI=1S/C19H15F4N3O2S/c1-10-16(9-28-13-6-7-14(15(20)8-13)17(24)26-27)29-18(25-10)11-2-4-12(5-3-11)19(21,22)23/h2-8,27H,9H2,1H3,(H2,24,26) |
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| InChIKey | OUAGKOBNXVDAEI-UHFFFAOYSA-N |
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| XLogP | 4.95 |
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| TPSA | 80.73 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 425.41 |
| LogP ≤ 5 | 4.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide (CID 59296144) is 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(/C(N)=N/O)c(F)c1.
What is the InChIKey of 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
The InChIKey is OUAGKOBNXVDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2S/c1-10-16(9-28-13-6-7-14(15(20)8-13)17(24)26-27)29-18(25-10)11-2-4-12(5-3-11)19(21,22)23/h2-8,27H,9H2,1H3,(H2,24,26).
What are the key properties of 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide?
2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide has a molecular weight of 425.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 59296144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).