About N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene
N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene (PubChem CID 143160610) has the molecular formula C23H36N4OS
and a molecular weight of 416.64 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene.
Molecular Properties
| Compound Name | N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene |
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| PubChem CID | 143160610 |
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| Molecular Formula | C23H36N4OS |
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| Molecular Weight | 416.64 g/mol |
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| Exact Mass | 416.26 |
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| IUPAC Name | N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene |
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| SMILES | C/C=C/N=C/Nc1c(C=O)sc2nccc(N(C)C)c12.C=CC(C)CCC.CC |
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| InChI | InChI=1S/C14H16N4OS.C7H14.C2H6/c1-4-6-15-9-17-13-11(8-19)20-14-12(13)10(18(2)3)5-7-16-14;1-4-6-7(3)5-2;1-2/h4-9H,1-3H3,(H,15,17);5,7H,2,4,6H2,1,3H3;1-2H3/b6-4+;; |
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| InChIKey | CEPMNBNCVGRVTN-SLNOCBGISA-N |
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| XLogP | 6.78 |
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| TPSA | 57.59 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 416.64 |
| LogP ≤ 5 | 6.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene?
The IUPAC name of N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene (CID 143160610) is N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene.
What is the SMILES notation for N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene?
The canonical SMILES for N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene is C/C=C/N=C/Nc1c(C=O)sc2nccc(N(C)C)c12.C=CC(C)CCC.CC.
What is the InChIKey of N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene?
The InChIKey is CEPMNBNCVGRVTN-SLNOCBGISA-N. The full InChI is InChI=1S/C14H16N4OS.C7H14.C2H6/c1-4-6-15-9-17-13-11(8-19)20-14-12(13)10(18(2)3)5-7-16-14;1-4-6-7(3)5-2;1-2/h4-9H,1-3H3,(H,15,17);5,7H,2,4,6H2,1,3H3;1-2H3/b6-4+;;.
What are the key properties of N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene?
N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene has a molecular weight of 416.64 g/mol, XLogP of 6.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N'-[(E)-prop-1-enyl]methanimidamide;ethane;3-methylhex-1-ene is sourced from PubChem (CID 143160610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).