About N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 6184216) has the molecular formula C19H18F3N5S2
and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
Molecular Properties
| Compound Name | N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
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| PubChem CID | 6184216 |
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| Molecular Formula | C19H18F3N5S2 |
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| Molecular Weight | 437.52 g/mol |
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| Exact Mass | 437.10 |
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| IUPAC Name | N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
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| SMILES | FC(F)(F)c1ccc(N/N=C\c2sc(N3CCCCC3)nc2-c2cccs2)nc1 |
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| InChI | InChI=1S/C19H18F3N5S2/c20-19(21,22)13-6-7-16(23-11-13)26-24-12-15-17(14-5-4-10-28-14)25-18(29-15)27-8-2-1-3-9-27/h4-7,10-12H,1-3,8-9H2,(H,23,26)/b24-12- |
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| InChIKey | FNHYBDQZAPWDBT-MSXFZWOLSA-N |
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| XLogP | 5.72 |
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| TPSA | 53.41 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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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
1 violation
| Rule | Value |
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| MW ≤ 500 | 437.52 |
| LogP ≤ 5 | 5.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_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 N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 6184216) is N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C\c2sc(N3CCCCC3)nc2-c2cccs2)nc1.
What is the InChIKey of N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FNHYBDQZAPWDBT-MSXFZWOLSA-N. The full InChI is InChI=1S/C19H18F3N5S2/c20-19(21,22)13-6-7-16(23-11-13)26-24-12-15-17(14-5-4-10-28-14)25-18(29-15)27-8-2-1-3-9-27/h4-7,10-12H,1-3,8-9H2,(H,23,26)/b24-12-.
What are the key properties of N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 437.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 6184216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).