1,2,3,6-tetrahydropyridine-5-carbothioamide

C6H10N2S — CID 142566575

IUPAC1,2,3,6-tetrahydropyridine-5-carbothioamide
SMILESNC(=S)C1=CCCNC1
InChIInChI=1S/C6H10N2S/c7-6(9)5-2-1-3-8-4-5/h2,8H,1,3-4H2,(H2,7,9)
InChIKeyWEQDPSVVIBESNL-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.19
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-5-carbothioamide

1,2,3,6-tetrahydropyridine-5-carbothioamide (PubChem CID 142566575) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-5-carbothioamide.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-5-carbothioamide
PubChem CID142566575
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1,2,3,6-tetrahydropyridine-5-carbothioamide
SMILESNC(=S)C1=CCCNC1
InChIInChI=1S/C6H10N2S/c7-6(9)5-2-1-3-8-4-5/h2,8H,1,3-4H2,(H2,7,9)
InChIKeyWEQDPSVVIBESNL-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-5-carbothioamide?
The IUPAC name of 1,2,3,6-tetrahydropyridine-5-carbothioamide (CID 142566575) is 1,2,3,6-tetrahydropyridine-5-carbothioamide.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-5-carbothioamide?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-5-carbothioamide is NC(=S)C1=CCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-5-carbothioamide?
The InChIKey is WEQDPSVVIBESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-6(9)5-2-1-3-8-4-5/h2,8H,1,3-4H2,(H2,7,9).
What are the key properties of 1,2,3,6-tetrahydropyridine-5-carbothioamide?
1,2,3,6-tetrahydropyridine-5-carbothioamide has a molecular weight of 142.23 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-5-carbothioamide is sourced from PubChem (CID 142566575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).