6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide

C13H13N3OS — CID 43128879

IUPAC6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCCc2ccccn2)nc1
InChIInChI=1S/C13H13N3OS/c14-13(18)10-4-5-12(16-9-10)17-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,14,18)
InChIKeyMIHBIGGCCIDNCM-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.73
Rot. Bonds5

About 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide

6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide (PubChem CID 43128879) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
PubChem CID43128879
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCCc2ccccn2)nc1
InChIInChI=1S/C13H13N3OS/c14-13(18)10-4-5-12(16-9-10)17-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,14,18)
InChIKeyMIHBIGGCCIDNCM-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 12017600
6-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 43565707
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
6-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447647
6-(2-butoxyethoxy)pyridine-3-carbothioamide
CID 29001986
2-methyl-N-[[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291494
6-(2-pyridin-2-ylethoxy)pyrazin-2-amine
CID 80646671
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide (CID 43128879) is 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide is NC(=S)c1ccc(OCCc2ccccn2)nc1.
What is the InChIKey of 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide?
The InChIKey is MIHBIGGCCIDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13(18)10-4-5-12(16-9-10)17-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,14,18).
What are the key properties of 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide?
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide has a molecular weight of 259.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 43128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).