6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide

C12H10N4S2 — CID 15543284

IUPAC6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cccc(C(N)=S)n2)n1
InChIInChI=1S/C12H10N4S2/c13-11(17)9-5-1-3-7(15-9)8-4-2-6-10(16-8)12(14)18/h1-6H,(H2,13,17)(H2,14,18)
InChIKeyKWEQTSXUZUWZRX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.41
Rot. Bonds3

About 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide

6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide (PubChem CID 15543284) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide
PubChem CID15543284
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cccc(C(N)=S)n2)n1
InChIInChI=1S/C12H10N4S2/c13-11(17)9-5-1-3-7(15-9)8-4-2-6-10(16-8)12(14)18/h1-6H,(H2,13,17)(H2,14,18)
InChIKeyKWEQTSXUZUWZRX-UHFFFAOYSA-N
XLogP1.41
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide?
The IUPAC name of 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide (CID 15543284) is 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide is NC(=S)c1cccc(-c2cccc(C(N)=S)n2)n1.
What is the InChIKey of 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide?
The InChIKey is KWEQTSXUZUWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c13-11(17)9-5-1-3-7(15-9)8-4-2-6-10(16-8)12(14)18/h1-6H,(H2,13,17)(H2,14,18).
What are the key properties of 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide?
6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide has a molecular weight of 274.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-carbamothioyl-2-pyridinyl)pyridine-2-carbothioamide is sourced from PubChem (CID 15543284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).