6-pyridin-2-ylpyridine-2-carbothioamide

C11H9N3S — CID 3034633

IUPAC6-pyridin-2-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C11H9N3S/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8/h1-7H,(H2,12,15)
InChIKeyKZSRBEDGZFDJKC-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.78
Rot. Bonds2

About 6-pyridin-2-ylpyridine-2-carbothioamide

6-pyridin-2-ylpyridine-2-carbothioamide (PubChem CID 3034633) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 6-pyridin-2-ylpyridine-2-carbothioamide.

Molecular Properties

Compound Name6-pyridin-2-ylpyridine-2-carbothioamide
PubChem CID3034633
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name6-pyridin-2-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C11H9N3S/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8/h1-7H,(H2,12,15)
InChIKeyKZSRBEDGZFDJKC-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethionamide
CID 2761171
2,2'-Bipyridine
CID 1474
Prothionamide
CID 666418
Diquat Dibromide
CID 6794
Diquat
CID 6795
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
2-Pyridinemethanamine
CID 19509
4,4'-Dimethyl-2,2'-bipyridine
CID 14338

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylpyridine-2-carbothioamide?
The IUPAC name of 6-pyridin-2-ylpyridine-2-carbothioamide (CID 3034633) is 6-pyridin-2-ylpyridine-2-carbothioamide.
What is the SMILES notation for 6-pyridin-2-ylpyridine-2-carbothioamide?
The canonical SMILES for 6-pyridin-2-ylpyridine-2-carbothioamide is NC(=S)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 6-pyridin-2-ylpyridine-2-carbothioamide?
The InChIKey is KZSRBEDGZFDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8/h1-7H,(H2,12,15).
What are the key properties of 6-pyridin-2-ylpyridine-2-carbothioamide?
6-pyridin-2-ylpyridine-2-carbothioamide has a molecular weight of 215.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylpyridine-2-carbothioamide is sourced from PubChem (CID 3034633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).