About (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 90675496) has the molecular formula C20H19N3O2S
and a molecular weight of 365.46 g/mol. Its IUPAC name is (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
Molecular Properties
| Compound Name | (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine |
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| PubChem CID | 90675496 |
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| Molecular Formula | C20H19N3O2S |
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| Molecular Weight | 365.46 g/mol |
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| Exact Mass | 365.12 |
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| IUPAC Name | (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine |
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| SMILES | C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\N=C\C=C\c1ccco1 |
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| InChI | InChI=1S/C20H19N3O2S/c1-3-13-23-19(16-8-10-17(24-2)11-9-16)15-26-20(23)22-21-12-4-6-18-7-5-14-25-18/h3-12,14-15H,1,13H2,2H3/b6-4+,21-12+,22-20- |
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| InChIKey | AQBQIYANNJTGQY-ZNNVSGCWSA-N |
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| XLogP | 4.60 |
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| TPSA | 52.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 26 |
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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 | 365.46 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 90675496) is (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\N=C\C=C\c1ccco1.
What is the InChIKey of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is AQBQIYANNJTGQY-ZNNVSGCWSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-13-23-19(16-8-10-17(24-2)11-9-16)15-26-20(23)22-21-12-4-6-18-7-5-14-25-18/h3-12,14-15H,1,13H2,2H3/b6-4+,21-12+,22-20-.
What are the key properties of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 365.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 90675496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).