N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)

C24H16N4PtS — CID 58704115

IUPACN-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1
InChIInChI=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
InChIKeyWZDRHEAWYIZMNN-UHFFFAOYSA-N
MW587.57 g/mol
LogP6.06
Rot. Bonds5

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 NameN-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)
PubChem CID58704115
Molecular FormulaC24H16N4PtS
Molecular Weight587.57 g/mol
Exact Mass587.07
IUPAC NameN-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1
InChIInChI=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
InChIKeyWZDRHEAWYIZMNN-UHFFFAOYSA-N
XLogP6.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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4-Phenyl-1-phenylpyrazole;2-phenyl-1,3-thiazole;platinum(2+)
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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).