1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))

C13H12Cd2N6S+4 — CID 10436322

IUPAC1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
SMILESS=C(N/N=C/c1ccccn1)N/N=C/c1ccccn1.[Cd+2].[Cd+2]
InChIInChI=1S/C13H12N6S.2Cd/c20-13(18-16-9-11-5-1-3-7-14-11)19-17-10-12-6-2-4-8-15-12;;/h1-10H,(H2,18,19,20);;/q;2*+2/b16-9+,17-10+;;
InChIKeyKRDPHGWZPQFXQH-APEFMPSWSA-N
MW509.17 g/mol
LogP1.30
Rot. Bonds4

About 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))

1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)) (PubChem CID 10436322) has the molecular formula C13H12Cd2N6S+4 and a molecular weight of 509.17 g/mol. Its IUPAC name is 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)).

Molecular Properties

Compound Name1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
PubChem CID10436322
Molecular FormulaC13H12Cd2N6S+4
Molecular Weight509.17 g/mol
Exact Mass511.89
IUPAC Name1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
SMILESS=C(N/N=C/c1ccccn1)N/N=C/c1ccccn1.[Cd+2].[Cd+2]
InChIInChI=1S/C13H12N6S.2Cd/c20-13(18-16-9-11-5-1-3-7-14-11)19-17-10-12-6-2-4-8-15-12;;/h1-10H,(H2,18,19,20);;/q;2*+2/b16-9+,17-10+;;
InChIKeyKRDPHGWZPQFXQH-APEFMPSWSA-N
XLogP1.30
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.17
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(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

[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
1-(4-hydroxyphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
CID 177447098
bis(methyl N-(pyridin-2-ylmethylideneamino)carbamodithioate);nickel
CID 50911309
CID 50936105
CID 50936105
1-butyl-3-(pyridin-2-ylmethylideneamino)thiourea;dichlorocopper
CID 3005763
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
dichlorocopper;1-(2-methoxyphenyl)-3-(pyridin-2-ylmethylideneamino)thiourea
CID 3005720
1,2-bis(pyridin-2-ylmethylideneamino)guanidine
CID 53440400
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
4-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]piperazine-1-carbothioamide
CID 25112862
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))?
The IUPAC name of 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)) (CID 10436322) is 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)).
What is the SMILES notation for 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))?
The canonical SMILES for 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)) is S=C(N/N=C/c1ccccn1)N/N=C/c1ccccn1.[Cd+2].[Cd+2].
What is the InChIKey of 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))?
The InChIKey is KRDPHGWZPQFXQH-APEFMPSWSA-N. The full InChI is InChI=1S/C13H12N6S.2Cd/c20-13(18-16-9-11-5-1-3-7-14-11)19-17-10-12-6-2-4-8-15-12;;/h1-10H,(H2,18,19,20);;/q;2*+2/b16-9+,17-10+;;.
What are the key properties of 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))?
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)) has a molecular weight of 509.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+)) is sourced from PubChem (CID 10436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).