2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)

C25H24N2O2PtS2 — CID 59645849

About 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)

2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+) (PubChem CID 59645849) has the molecular formula C25H24N2O2PtS2 and a molecular weight of 643.69 g/mol. Its IUPAC name is 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)
• PubChem CID: 59645849
• Molecular Formula: C25H24N2O2PtS2
• Molecular Weight: 643.69 g/mol
• Exact Mass: 643.09
• IUPAC Name: 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)
• SMILES: CC(C)(C)c1cc[c-]c(Oc2csc(C(C)(C)c3nc(Oc4[c-]cccc4)cs3)n2)c1.[Pt+2]
• InChI: InChI=1S/C25H24N2O2S2.Pt/c1-24(2,3)17-10-9-13-19(14-17)29-21-16-31-23(27-21)25(4,5)22-26-20(15-30-22)28-18-11-7-6-8-12-18;/h6-11,14-16H,1-5H3;/q-2;+2
• InChIKey: QKJDZJRUSGOOLB-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 44.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.69
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)?

The IUPAC name of 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+) (CID 59645849) is 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+).

What is the SMILES notation for 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)?

The canonical SMILES for 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+) is CC(C)(C)c1cc[c-]c(Oc2csc(C(C)(C)c3nc(Oc4[c-]cccc4)cs3)n2)c1.[Pt+2].

What is the InChIKey of 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)?

The InChIKey is QKJDZJRUSGOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S2.Pt/c1-24(2,3)17-10-9-13-19(14-17)29-21-16-31-23(27-21)25(4,5)22-26-20(15-30-22)28-18-11-7-6-8-12-18;/h6-11,14-16H,1-5H3;/q-2;+2.

What are the key properties of 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+)?

2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+) has a molecular weight of 643.69 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(3-tert-butylbenzene-6-id-1-yl)oxy-1,3-thiazol-2-yl]propan-2-yl]-4-(phenoxy)-1,3-thiazole;platinum(2+) is sourced from PubChem (CID 59645849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).