copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide

C19H15CuN7S — CID 11626280

IUPACcopper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide
SMILESS=C([N-]/N=C(\c1ccccc1)c1ccccn1)Nc1ccccc1.[Cu+2].[N-]=[N+]=[N-]
InChIInChI=1S/C19H16N4S.Cu.N3/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17;;1-3-2/h1-14H,(H2,20,21,23,24);;/q;+2;-1/p-1
InChIKeyNRPTWYLWJUKDRV-UHFFFAOYSA-M
MW436.99 g/mol
LogP5.47
Rot. Bonds4

About copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide

copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide (PubChem CID 11626280) has the molecular formula C19H15CuN7S and a molecular weight of 436.99 g/mol. Its IUPAC name is copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide.

Molecular Properties

Compound Namecopper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide
PubChem CID11626280
Molecular FormulaC19H15CuN7S
Molecular Weight436.99 g/mol
Exact Mass436.04
IUPAC Namecopper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide
SMILESS=C([N-]/N=C(\c1ccccc1)c1ccccn1)Nc1ccccc1.[Cu+2].[N-]=[N+]=[N-]
InChIInChI=1S/C19H16N4S.Cu.N3/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17;;1-3-2/h1-14H,(H2,20,21,23,24);;/q;+2;-1/p-1
InChIKeyNRPTWYLWJUKDRV-UHFFFAOYSA-M
XLogP5.47
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide 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

(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
N-[4-(pyridine-2-carbothioylamino)phenyl]pyridine-2-carbothioamide
CID 15592021
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
N-(4-fluorophenyl)pyridine-2-carbothioamide
CID 14510216
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813

Frequently Asked Questions

What is the IUPAC name of copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide?
The IUPAC name of copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide (CID 11626280) is copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide.
What is the SMILES notation for copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide?
The canonical SMILES for copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide is S=C([N-]/N=C(\c1ccccc1)c1ccccn1)Nc1ccccc1.[Cu+2].[N-]=[N+]=[N-].
What is the InChIKey of copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide?
The InChIKey is NRPTWYLWJUKDRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N4S.Cu.N3/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17;;1-3-2/h1-14H,(H2,20,21,23,24);;/q;+2;-1/p-1.
What are the key properties of copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide?
copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide has a molecular weight of 436.99 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide is sourced from PubChem (CID 11626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).