(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)

C13H10ClCuN3OS — CID 163184768

IUPAC(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)
SMILESCl[Cu+].O=C([N-]NC(=S)c1ccccc1)c1cccnc1
InChIInChI=1S/C13H11N3OS.ClH.Cu/c17-12(11-7-4-8-14-9-11)15-16-13(18)10-5-2-1-3-6-10;;/h1-9H,(H2,15,16,17,18);1H;/q;;+2/p-2
InChIKeySLGSQLBTTKLQEV-UHFFFAOYSA-L
MW355.31 g/mol
LogP3.16
Rot. Bonds2

About (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)

(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+) (PubChem CID 163184768) has the molecular formula C13H10ClCuN3OS and a molecular weight of 355.31 g/mol. Its IUPAC name is (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+).

Molecular Properties

Compound Name(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)
PubChem CID163184768
Molecular FormulaC13H10ClCuN3OS
Molecular Weight355.31 g/mol
Exact Mass353.95
IUPAC Name(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)
SMILESCl[Cu+].O=C([N-]NC(=S)c1ccccc1)c1cccnc1
InChIInChI=1S/C13H11N3OS.ClH.Cu/c17-12(11-7-4-8-14-9-11)15-16-13(18)10-5-2-1-3-6-10;;/h1-9H,(H2,15,16,17,18);1H;/q;;+2/p-2
InChIKeySLGSQLBTTKLQEV-UHFFFAOYSA-L
XLogP3.16
TPSA56.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)?
The IUPAC name of (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+) (CID 163184768) is (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+).
What is the SMILES notation for (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)?
The canonical SMILES for (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+) is Cl[Cu+].O=C([N-]NC(=S)c1ccccc1)c1cccnc1.
What is the InChIKey of (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)?
The InChIKey is SLGSQLBTTKLQEV-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11N3OS.ClH.Cu/c17-12(11-7-4-8-14-9-11)15-16-13(18)10-5-2-1-3-6-10;;/h1-9H,(H2,15,16,17,18);1H;/q;;+2/p-2.
What are the key properties of (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+)?
(benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+) has a molecular weight of 355.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzenecarbonothioylamino)-(pyridine-3-carbonyl)azanide;chlorocopper(1+) is sourced from PubChem (CID 163184768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).