6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide

C13H14N4S — CID 43524173

IUPAC6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide
SMILESCC(Nc1ccc(C(N)=S)cn1)c1ccncc1
InChIInChI=1S/C13H14N4S/c1-9(10-4-6-15-7-5-10)17-12-3-2-11(8-16-12)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17)
InChIKeyRFIZTPHGKMSUMM-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.28
Rot. Bonds4

About 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide

6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide (PubChem CID 43524173) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide
PubChem CID43524173
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide
SMILESCC(Nc1ccc(C(N)=S)cn1)c1ccncc1
InChIInChI=1S/C13H14N4S/c1-9(10-4-6-15-7-5-10)17-12-3-2-11(8-16-12)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17)
InChIKeyRFIZTPHGKMSUMM-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.28
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

2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54958448
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
CID 24706067
2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 43524170
6-(dicyclopropylmethylamino)pyridine-3-carbothioamide
CID 54958533
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
5-chloro-2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 62494698
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
CID 114546660
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175

Frequently Asked Questions

What is the IUPAC name of 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide (CID 43524173) is 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide is CC(Nc1ccc(C(N)=S)cn1)c1ccncc1.
What is the InChIKey of 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide?
The InChIKey is RFIZTPHGKMSUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9(10-4-6-15-7-5-10)17-12-3-2-11(8-16-12)13(14)18/h2-9H,1H3,(H2,14,18)(H,16,17).
What are the key properties of 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide?
6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 43524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).