3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione

C8H11N3S2 — CID 141175220

IUPAC3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione
SMILESC[C@@H]1C=C(c2nc(=S)s[nH]2)CCN1
InChIInChI=1S/C8H11N3S2/c1-5-4-6(2-3-9-5)7-10-8(12)13-11-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)/t5-/m1/s1
InChIKeyKGNUKWNWVITKPV-RXMQYKEDSA-N
MW213.33 g/mol
LogP1.97
Rot. Bonds1

About 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione

3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione (PubChem CID 141175220) has the molecular formula C8H11N3S2 and a molecular weight of 213.33 g/mol. Its IUPAC name is 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione.

Molecular Properties

Compound Name3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione
PubChem CID141175220
Molecular FormulaC8H11N3S2
Molecular Weight213.33 g/mol
Exact Mass213.04
IUPAC Name3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione
SMILESC[C@@H]1C=C(c2nc(=S)s[nH]2)CCN1
InChIInChI=1S/C8H11N3S2/c1-5-4-6(2-3-9-5)7-10-8(12)13-11-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)/t5-/m1/s1
InChIKeyKGNUKWNWVITKPV-RXMQYKEDSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.97
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

6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-2H-1,2,4-thiadiazole-5-thione
CID 141175191
3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-2H-1,2,4-thiadiazole-5-thione
CID 141175193
3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-oxadiazole-5-thione
CID 141175216
3-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-2H-1,2,4-thiadiazole-5-thione
CID 141175219
N',2-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075890
N',6-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075917

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione?
The IUPAC name of 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione (CID 141175220) is 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione.
What is the SMILES notation for 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione?
The canonical SMILES for 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione is C[C@@H]1C=C(c2nc(=S)s[nH]2)CCN1.
What is the InChIKey of 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione?
The InChIKey is KGNUKWNWVITKPV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N3S2/c1-5-4-6(2-3-9-5)7-10-8(12)13-11-7/h4-5,9H,2-3H2,1H3,(H,10,11,12)/t5-/m1/s1.
What are the key properties of 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione?
3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione has a molecular weight of 213.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-2H-1,2,4-thiadiazole-5-thione is sourced from PubChem (CID 141175220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).