N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum

C30H24N4O3PtS — CID 162702733

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum (PubChem CID 162702733) has the molecular formula C30H24N4O3PtS and a molecular weight of 715.69 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum.

Molecular Properties

• Compound Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum
• PubChem CID: 162702733
• Molecular Formula: C30H24N4O3PtS
• Molecular Weight: 715.69 g/mol
• Exact Mass: 715.12
• IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum
• SMILES: O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Pt]
• InChI: InChI=1S/C30H24N4O3S.Pt/c35-26-10-4-1-7-21(26)17-31-19-25(32-18-22-8-2-5-11-27(22)36)29(37)33-23-15-13-20(14-16-23)30-34-24-9-3-6-12-28(24)38-30;/h1-18,25,35-36H,19H2,(H,33,37);/b31-17+,32-18+
• InChIKey: OPSHLGNEAZSKLD-UIEZAYFCSA-N
• XLogP: 5.92
• TPSA: 107.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.69
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum?

The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum (CID 162702733) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum.

What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum?

The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Pt].

What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum?

The InChIKey is OPSHLGNEAZSKLD-UIEZAYFCSA-N. The full InChI is InChI=1S/C30H24N4O3S.Pt/c35-26-10-4-1-7-21(26)17-31-19-25(32-18-22-8-2-5-11-27(22)36)29(37)33-23-15-13-20(14-16-23)30-34-24-9-3-6-12-28(24)38-30;/h1-18,25,35-36H,19H2,(H,33,37);/b31-17+,32-18+;.

What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum?

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum has a molecular weight of 715.69 g/mol, XLogP of 5.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,3-bis[(2-hydroxyphenyl)methylideneamino]propanamide;platinum is sourced from PubChem (CID 162702733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).