6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

C24H18N4PtS — CID 58704434

About 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 58704434) has the molecular formula C24H18N4PtS and a molecular weight of 589.58 g/mol. Its IUPAC name is 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• PubChem CID: 58704434
• Molecular Formula: C24H18N4PtS
• Molecular Weight: 589.58 g/mol
• Exact Mass: 589.09
• IUPAC Name: 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(C3=NCCS3)n2)cccc1-n1[c-]ccc1
• InChI: InChI=1S/C24H18N4S.Pt/c1-2-8-19(9-3-1)28(21-11-6-10-20(18-21)27-15-4-5-16-27)23-13-7-12-22(26-23)24-25-14-17-29-24;/h1-13,15H,14,17H2;/q-2;+2
• InChIKey: RZAPDUOKCFYVNU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 33.42 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.58
LogP ≤ 5	5.43
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 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The IUPAC name of 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (CID 58704434) is 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

What is the SMILES notation for 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The canonical SMILES for 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(C3=NCCS3)n2)cccc1-n1[c-]ccc1.

What is the InChIKey of 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The InChIKey is RZAPDUOKCFYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S.Pt/c1-2-8-19(9-3-1)28(21-11-6-10-20(18-21)27-15-4-5-16-27)23-13-7-12-22(26-23)24-25-14-17-29-24;/h1-13,15H,14,17H2;/q-2;+2.

What are the key properties of 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 589.58 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).