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

C28H18N4PtS — CID 58704281

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

3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 58704281) has the molecular formula C28H18N4PtS and a molecular weight of 637.63 g/mol. Its IUPAC name is 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).

Molecular Properties

• Compound Name: 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
• PubChem CID: 58704281
• Molecular Formula: C28H18N4PtS
• Molecular Weight: 637.63 g/mol
• Exact Mass: 637.09
• IUPAC Name: 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2nsc3ccccc23)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1
• InChI: InChI=1S/C28H18N4S.Pt/c1-2-10-22(11-3-1)32(25-14-7-12-23(20-25)31-18-8-17-29-31)24-13-6-9-21(19-24)28-26-15-4-5-16-27(26)33-30-28;/h1-18H;/q-2;+2
• InChIKey: UZRNKLUVUUMBKB-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 33.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.63
LogP ≤ 5	7.22
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 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?

The IUPAC name of 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (CID 58704281) is 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).

What is the SMILES notation for 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?

The canonical SMILES for 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is [Pt+2].[c-]1c(-c2nsc3ccccc23)cccc1N(c1[c-]c(-n2cccn2)ccc1)c1ccccc1.

What is the InChIKey of 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?

The InChIKey is UZRNKLUVUUMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S.Pt/c1-2-10-22(11-3-1)32(25-14-7-12-23(20-25)31-18-8-17-29-31)24-13-6-9-21(19-24)28-26-15-4-5-16-27(26)33-30-28;/h1-18H;/q-2;+2.

What are the key properties of 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?

3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) has a molecular weight of 637.63 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 58704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).