bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)

C20H24N6O4PdS2 — CID 135451827

IUPACbis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)
SMILESC/N=C(/[S-])N/N=C/c1cccc(OC)c1O.C/N=C(\[S-])N/N=C/c1cccc(OC)c1O.[Pd+2]
InChIInChI=1S/2C10H13N3O2S.Pd/c2*1-11-10(16)13-12-6-7-4-3-5-8(15-2)9(7)14;/h2*3-6,14H,1-2H3,(H2,11,13,16);/q;;+2/p-2/b2*12-6+;
InChIKeyMOCVJEGWTBXJPQ-FWWOJAOHSA-L
MW583.00 g/mol
LogP1.71
Rot. Bonds6

About bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)

bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) (PubChem CID 135451827) has the molecular formula C20H24N6O4PdS2 and a molecular weight of 583.00 g/mol. Its IUPAC name is bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+).

Molecular Properties

Compound Namebis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)
PubChem CID135451827
Molecular FormulaC20H24N6O4PdS2
Molecular Weight583.00 g/mol
Exact Mass582.03
IUPAC Namebis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)
SMILESC/N=C(/[S-])N/N=C/c1cccc(OC)c1O.C/N=C(\[S-])N/N=C/c1cccc(OC)c1O.[Pd+2]
InChIInChI=1S/2C10H13N3O2S.Pd/c2*1-11-10(16)13-12-6-7-4-3-5-8(15-2)9(7)14;/h2*3-6,14H,1-2H3,(H2,11,13,16);/q;;+2/p-2/b2*12-6+;
InChIKeyMOCVJEGWTBXJPQ-FWWOJAOHSA-L
XLogP1.71
TPSA132.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.00
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate);platinum(2+)
CID 135506976
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 135676076
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135745561
1-(4-fluorophenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135842072
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454

Frequently Asked Questions

What is the IUPAC name of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)?
The IUPAC name of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) (CID 135451827) is bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+).
What is the SMILES notation for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)?
The canonical SMILES for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) is C/N=C(/[S-])N/N=C/c1cccc(OC)c1O.C/N=C(\[S-])N/N=C/c1cccc(OC)c1O.[Pd+2].
What is the InChIKey of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)?
The InChIKey is MOCVJEGWTBXJPQ-FWWOJAOHSA-L. The full InChI is InChI=1S/2C10H13N3O2S.Pd/c2*1-11-10(16)13-12-6-7-4-3-5-8(15-2)9(7)14;/h2*3-6,14H,1-2H3,(H2,11,13,16);/q;;+2/p-2/b2*12-6+;.
What are the key properties of bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+)?
bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) has a molecular weight of 583.00 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N'-methylcarbamimidothioate);palladium(2+) is sourced from PubChem (CID 135451827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).