About N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)
N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 58704115) has the molecular formula C24H16N4PtS
and a molecular weight of 587.57 g/mol. Its IUPAC name is N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+).
Molecular Properties
| Compound Name | N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) |
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| PubChem CID | 58704115 |
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| Molecular Formula | C24H16N4PtS |
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| Molecular Weight | 587.57 g/mol |
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| Exact Mass | 587.07 |
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| IUPAC Name | N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) |
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| SMILES | [Pt+2].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1 |
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| InChI | InChI=1S/C24H16N4S.Pt/c1-2-8-20(9-3-1)28(22-11-4-7-19(17-22)24-25-14-16-29-24)23-12-5-10-21(18-23)27-15-6-13-26-27;/h1-16H;/q-2;+2 |
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| InChIKey | WZDRHEAWYIZMNN-UHFFFAOYSA-N |
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| XLogP | 6.06 |
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| TPSA | 33.95 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 587.57 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)?
The IUPAC name of N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) (CID 58704115) is N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+).
What is the SMILES notation for N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)?
The canonical SMILES for N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) is [Pt+2].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)?
The InChIKey is WZDRHEAWYIZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S.Pt/c1-2-8-20(9-3-1)28(22-11-4-7-19(17-22)24-25-14-16-29-24)23-12-5-10-21(18-23)27-15-6-13-26-27;/h1-16H;/q-2;+2.
What are the key properties of N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)?
N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) has a molecular weight of 587.57 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 58704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).