2,2-dipyridin-2-ylethanethioamide

C12H11N3S — CID 3035355

IUPAC2,2-dipyridin-2-ylethanethioamide
SMILESNC(=S)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C12H11N3S/c13-12(16)11(9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8,11H,(H2,13,16)
InChIKeyUSGYAOHRCQXKJC-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.89
Rot. Bonds3

About 2,2-dipyridin-2-ylethanethioamide

2,2-dipyridin-2-ylethanethioamide (PubChem CID 3035355) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2,2-dipyridin-2-ylethanethioamide.

Molecular Properties

Compound Name2,2-dipyridin-2-ylethanethioamide
PubChem CID3035355
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2,2-dipyridin-2-ylethanethioamide
SMILESNC(=S)C(c1ccccn1)c1ccccn1
InChIInChI=1S/C12H11N3S/c13-12(16)11(9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8,11H,(H2,13,16)
InChIKeyUSGYAOHRCQXKJC-UHFFFAOYSA-N
XLogP1.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.89
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

2-pyridin-2-ylbutanethioamide;hydrochloride
CID 90471490
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
but-2-enedioic acid;2-methoxy-2-pyridin-2-ylethanethioamide
CID 173455271
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537
chloro(pyridin-2-yl)methanamine
CID 22075524
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-amino-2-pyridin-2-ylethanethial
CID 87216139
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide
CID 88549065

Frequently Asked Questions

What is the IUPAC name of 2,2-dipyridin-2-ylethanethioamide?
The IUPAC name of 2,2-dipyridin-2-ylethanethioamide (CID 3035355) is 2,2-dipyridin-2-ylethanethioamide.
What is the SMILES notation for 2,2-dipyridin-2-ylethanethioamide?
The canonical SMILES for 2,2-dipyridin-2-ylethanethioamide is NC(=S)C(c1ccccn1)c1ccccn1.
What is the InChIKey of 2,2-dipyridin-2-ylethanethioamide?
The InChIKey is USGYAOHRCQXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-12(16)11(9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8,11H,(H2,13,16).
What are the key properties of 2,2-dipyridin-2-ylethanethioamide?
2,2-dipyridin-2-ylethanethioamide has a molecular weight of 229.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipyridin-2-ylethanethioamide is sourced from PubChem (CID 3035355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).