azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

C22H22Cl2N4O5PtS — CID 91938039

About azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide (PubChem CID 91938039) has the molecular formula C22H22Cl2N4O5PtS and a molecular weight of 720.49 g/mol. Its IUPAC name is azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide.

Molecular Properties

• Compound Name: azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
• PubChem CID: 91938039
• Molecular Formula: C22H22Cl2N4O5PtS
• Molecular Weight: 720.49 g/mol
• Exact Mass: 719.03
• IUPAC Name: azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
• SMILES: Cl[Pt]Cl.N.N.O=C(Nc1nc(-c2ccc(O)c(O)c2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1
• InChI: InChI=1S/C22H16N2O5S.2ClH.2H3N.Pt/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14;;;;;/h1-11,25-28H,(H,23,24,29);2*1H;2*1H3;/q;;;;;+2/p-2
• InChIKey: YLLLWUWOFUEZBJ-UHFFFAOYSA-L
• XLogP: 6.25
• TPSA: 192.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	720.49
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide?

The IUPAC name of azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide (CID 91938039) is azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide.

What is the SMILES notation for azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide?

The canonical SMILES for azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide is Cl[Pt]Cl.N.N.O=C(Nc1nc(-c2ccc(O)c(O)c2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1.

What is the InChIKey of azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide?

The InChIKey is YLLLWUWOFUEZBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H16N2O5S.2ClH.2H3N.Pt/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14;;;;;/h1-11,25-28H,(H,23,24,29);2*1H;2*1H3;/q;;;;;+2/p-2.

What are the key properties of azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide?

azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide has a molecular weight of 720.49 g/mol, XLogP of 6.25, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 91938039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).