N-pyridin-2-ylpyridine-2-carbothioamide

C11H9N3S — CID 750538

IUPACN-pyridin-2-ylpyridine-2-carbothioamide
SMILESS=C(Nc1ccccn1)c1ccccn1
InChIInChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)
InChIKeyUGWOJXZJIZUKDP-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.26
Rot. Bonds2

About N-pyridin-2-ylpyridine-2-carbothioamide

N-pyridin-2-ylpyridine-2-carbothioamide (PubChem CID 750538) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-pyridin-2-ylpyridine-2-carbothioamide.

Molecular Properties

Compound NameN-pyridin-2-ylpyridine-2-carbothioamide
PubChem CID750538
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC NameN-pyridin-2-ylpyridine-2-carbothioamide
SMILESS=C(Nc1ccccn1)c1ccccn1
InChIInChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)
InChIKeyUGWOJXZJIZUKDP-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-pyridin-2-ylpyridine-2-carbothioamide?
The IUPAC name of N-pyridin-2-ylpyridine-2-carbothioamide (CID 750538) is N-pyridin-2-ylpyridine-2-carbothioamide.
What is the SMILES notation for N-pyridin-2-ylpyridine-2-carbothioamide?
The canonical SMILES for N-pyridin-2-ylpyridine-2-carbothioamide is S=C(Nc1ccccn1)c1ccccn1.
What is the InChIKey of N-pyridin-2-ylpyridine-2-carbothioamide?
The InChIKey is UGWOJXZJIZUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15).
What are the key properties of N-pyridin-2-ylpyridine-2-carbothioamide?
N-pyridin-2-ylpyridine-2-carbothioamide has a molecular weight of 215.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-ylpyridine-2-carbothioamide is sourced from PubChem (CID 750538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).