2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide

C13H14N4S — CID 24696486

IUPAC2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C13H14N4S/c14-13(18)10-4-7-16-12(9-10)17-8-5-11-3-1-2-6-15-11/h1-4,6-7,9H,5,8H2,(H2,14,18)(H,16,17)
InChIKeyRXLTYQAFHNVNEY-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.77
Rot. Bonds5

About 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide

2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide (PubChem CID 24696486) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
PubChem CID24696486
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C13H14N4S/c14-13(18)10-4-7-16-12(9-10)17-8-5-11-3-1-2-6-15-11/h1-4,6-7,9H,5,8H2,(H2,14,18)(H,16,17)
InChIKeyRXLTYQAFHNVNEY-UHFFFAOYSA-N
XLogP1.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2-pyridin-2-ylethylamino)benzenecarbothioamide
CID 54934528
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
2-(1,2-oxazol-3-ylmethylamino)pyridine-4-carbothioamide
CID 81177193
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
6-(2-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005951
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide (CID 24696486) is 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide is NC(=S)c1ccnc(NCCc2ccccn2)c1.
What is the InChIKey of 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide?
The InChIKey is RXLTYQAFHNVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c14-13(18)10-4-7-16-12(9-10)17-8-5-11-3-1-2-6-15-11/h1-4,6-7,9H,5,8H2,(H2,14,18)(H,16,17).
What are the key properties of 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide?
2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 24696486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).