5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione

C8H10N2S — CID 129238579

IUPAC5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione
SMILESS=c1cc2c(c[nH]1)CCNC2
InChIInChI=1S/C8H10N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h3,5,9H,1-2,4H2,(H,10,11)
InChIKeyGTKOPNFQUOTFIC-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.39
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione

5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione (PubChem CID 129238579) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione
PubChem CID129238579
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione
SMILESS=c1cc2c(c[nH]1)CCNC2
InChIInChI=1S/C8H10N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h3,5,9H,1-2,4H2,(H,10,11)
InChIKeyGTKOPNFQUOTFIC-UHFFFAOYSA-N
XLogP1.39
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.39
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 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione?
The IUPAC name of 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione (CID 129238579) is 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione is S=c1cc2c(c[nH]1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione?
The InChIKey is GTKOPNFQUOTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h3,5,9H,1-2,4H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione?
5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione has a molecular weight of 166.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-2,6-naphthyridine-3-thione is sourced from PubChem (CID 129238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).