N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)

C28H28N10NiS2 — CID 25193514

IUPACN'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)
SMILESCN(C)/C([S-])=N/N=C(c1ccccn1)c1ccccn1.CN(C)/C([S-])=N\N=C(c1ccccn1)c1ccccn1.[Ni+2]
InChIInChI=1S/2C14H15N5S.Ni/c2*1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12;/h2*3-10H,1-2H3,(H,18,20);/q;;+2/p-2
InChIKeySBAYGYGJAXULHG-UHFFFAOYSA-L
MW627.43 g/mol
LogP3.38
Rot. Bonds6

About N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)

N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+) (PubChem CID 25193514) has the molecular formula C28H28N10NiS2 and a molecular weight of 627.43 g/mol. Its IUPAC name is N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+).

Molecular Properties

Compound NameN'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)
PubChem CID25193514
Molecular FormulaC28H28N10NiS2
Molecular Weight627.43 g/mol
Exact Mass626.13
IUPAC NameN'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)
SMILESCN(C)/C([S-])=N/N=C(c1ccccn1)c1ccccn1.CN(C)/C([S-])=N\N=C(c1ccccn1)c1ccccn1.[Ni+2]
InChIInChI=1S/2C14H15N5S.Ni/c2*1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12;/h2*3-10H,1-2H3,(H,18,20);/q;;+2/p-2
InChIKeySBAYGYGJAXULHG-UHFFFAOYSA-L
XLogP3.38
TPSA107.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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 N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(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

N-methoxy-1,1-dipyridin-2-ylmethanimine
CID 59833599
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
CID 25193515
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
zinc bis(pyridine-2-carbothioate)
CID 118879777
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
N-methylpyridine-2-carbohydrazide
CID 45084309
3-(dipyridin-2-ylmethylideneamino)-1-methyl-1-propan-2-ylthiourea
CID 145284856
2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
CID 139764297

Frequently Asked Questions

What is the IUPAC name of N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)?
The IUPAC name of N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+) (CID 25193514) is N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+).
What is the SMILES notation for N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)?
The canonical SMILES for N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+) is CN(C)/C([S-])=N/N=C(c1ccccn1)c1ccccn1.CN(C)/C([S-])=N\N=C(c1ccccn1)c1ccccn1.[Ni+2].
What is the InChIKey of N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)?
The InChIKey is SBAYGYGJAXULHG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H15N5S.Ni/c2*1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12;/h2*3-10H,1-2H3,(H,18,20);/q;;+2/p-2.
What are the key properties of N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)?
N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+) has a molecular weight of 627.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+) is sourced from PubChem (CID 25193514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).