About 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 2438738) has the molecular formula C25H28N4O5S
and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
Molecular Properties
| Compound Name | 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone |
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| PubChem CID | 2438738 |
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| Molecular Formula | C25H28N4O5S |
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| Molecular Weight | 496.59 g/mol |
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| Exact Mass | 496.18 |
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| IUPAC Name | 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone |
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| SMILES | C/N=c1\scc(-c2ccc(OC)cc2)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 |
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| InChI | InChI=1S/C25H28N4O5S/c1-26-25-29(21(17-35-25)19-5-7-20(31-2)8-6-19)27-15-18-4-9-22(23(14-18)32-3)34-16-24(30)28-10-12-33-13-11-28/h4-9,14-15,17H,10-13,16H2,1-3H3/b26-25-,27-15? |
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| InChIKey | RFCPRILNXCDTID-CCIWYEMLSA-N |
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| XLogP | 2.88 |
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| TPSA | 86.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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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 | 496.59 |
| LogP ≤ 5 | 2.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 2438738) is 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is C/N=c1\scc(-c2ccc(OC)cc2)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is RFCPRILNXCDTID-CCIWYEMLSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-26-25-29(21(17-35-25)19-5-7-20(31-2)8-6-19)27-15-18-4-9-22(23(14-18)32-3)34-16-24(30)28-10-12-33-13-11-28/h4-9,14-15,17H,10-13,16H2,1-3H3/b26-25-,27-15?.
What are the key properties of 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 496.59 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2438738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).