platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole

C17H10F6N6PtS2 — CID 58704670

About platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole

platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole (PubChem CID 58704670) has the molecular formula C17H10F6N6PtS2 and a molecular weight of 671.51 g/mol. Its IUPAC name is platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole
• PubChem CID: 58704670
• Molecular Formula: C17H10F6N6PtS2
• Molecular Weight: 671.51 g/mol
• Exact Mass: 671.00
• IUPAC Name: platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole
• SMILES: CC(C)(c1nc(-n2[c-]cc(C(F)(F)F)n2)cs1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cs1.[Pt+2]
• InChI: InChI=1S/C17H10F6N6S2.Pt/c1-15(2,13-24-11(7-30-13)28-5-3-9(26-28)16(18,19)20)14-25-12(8-31-14)29-6-4-10(27-29)17(21,22)23;/h3-4,7-8H,1-2H3;/q-2;+2
• InChIKey: BTCRRDBLXOJDPO-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 61.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	671.51
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole?

The IUPAC name of platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole (CID 58704670) is platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole.

What is the SMILES notation for platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole?

The canonical SMILES for platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole is CC(C)(c1nc(-n2[c-]cc(C(F)(F)F)n2)cs1)c1nc(-n2[c-]cc(C(F)(F)F)n2)cs1.[Pt+2].

What is the InChIKey of platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole?

The InChIKey is BTCRRDBLXOJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N6S2.Pt/c1-15(2,13-24-11(7-30-13)28-5-3-9(26-28)16(18,19)20)14-25-12(8-31-14)29-6-4-10(27-29)17(21,22)23;/h3-4,7-8H,1-2H3;/q-2;+2.

What are the key properties of platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole?

platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole has a molecular weight of 671.51 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-[2-[4-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-1,3-thiazol-2-yl]propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 58704670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).