N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

C24H16N4PtS — CID 58704093

About N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 58704093) has the molecular formula C24H16N4PtS and a molecular weight of 587.57 g/mol. Its IUPAC name is N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• PubChem CID: 58704093
• Molecular Formula: C24H16N4PtS
• Molecular Weight: 587.57 g/mol
• Exact Mass: 587.07
• IUPAC Name: N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2nccs2)cccc1N(c1ccccc1)c1cccc(-n2[c-]ccc2)n1
• InChI: InChI=1S/C24H16N4S.Pt/c1-2-9-20(10-3-1)28(21-11-6-8-19(18-21)24-25-14-17-29-24)23-13-7-12-22(26-23)27-15-4-5-16-27;/h1-15,17H;/q-2;+2
• InChIKey: ISSRVZRVYFSHJA-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 33.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The IUPAC name of N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (CID 58704093) is N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

What is the SMILES notation for N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The canonical SMILES for N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(-c2nccs2)cccc1N(c1ccccc1)c1cccc(-n2[c-]ccc2)n1.

What is the InChIKey of N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The InChIKey is ISSRVZRVYFSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S.Pt/c1-2-9-20(10-3-1)28(21-11-6-8-19(18-21)24-25-14-17-29-24)23-13-7-12-22(26-23)27-15-4-5-16-27;/h1-15,17H;/q-2;+2.

What are the key properties of N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

N-phenyl-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-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-6-(2H-pyrrol-2-id-1-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).