6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide

C14H20N4S — CID 79935683

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C14H20N4S/c15-14(19)12-5-3-6-13(16-12)18-9-8-17-7-2-1-4-11(17)10-18/h3,5-6,11H,1-2,4,7-10H2,(H2,15,19)
InChIKeyZXJKZCXNGQQDGA-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.39
Rot. Bonds2

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide (PubChem CID 79935683) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide
PubChem CID79935683
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C14H20N4S/c15-14(19)12-5-3-6-13(16-12)18-9-8-17-7-2-1-4-11(17)10-18/h3,5-6,11H,1-2,4,7-10H2,(H2,15,19)
InChIKeyZXJKZCXNGQQDGA-UHFFFAOYSA-N
XLogP1.39
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.39
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

6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79924667
6-(4-methylsulfanylpiperidin-1-yl)pyridine-2-carbothioamide
CID 114237279
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-2-carbothioamide
CID 64589437
6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide
CID 64588249
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]methanol
CID 63150729
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carbothioamide
CID 115488588
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)benzenecarbothioamide
CID 79932866

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide (CID 79935683) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide is NC(=S)c1cccc(N2CCN3CCCCC3C2)n1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide?
The InChIKey is ZXJKZCXNGQQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c15-14(19)12-5-3-6-13(16-12)18-9-8-17-7-2-1-4-11(17)10-18/h3,5-6,11H,1-2,4,7-10H2,(H2,15,19).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide has a molecular weight of 276.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 79935683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).