5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid

C8H11F3N2O3S2 — CID 22163061

IUPAC5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.SC1CCn2ccnc2C1
InChIInChI=1S/C7H10N2S.CHF3O3S/c10-6-1-3-9-4-2-8-7(9)5-6;2-1(3,4)8(5,6)7/h2,4,6,10H,1,3,5H2;(H,5,6,7)
InChIKeySHVCAXJJQJFZTD-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.52
Rot. Bonds

About 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid (PubChem CID 22163061) has the molecular formula C8H11F3N2O3S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid
PubChem CID22163061
Molecular FormulaC8H11F3N2O3S2
Molecular Weight304.32 g/mol
Exact Mass304.02
IUPAC Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.SC1CCn2ccnc2C1
InChIInChI=1S/C7H10N2S.CHF3O3S/c10-6-1-3-9-4-2-8-7(9)5-6;2-1(3,4)8(5,6)7/h2,4,6,10H,1,3,5H2;(H,5,6,7)
InChIKeySHVCAXJJQJFZTD-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid (CID 22163061) is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.SC1CCn2ccnc2C1.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid?
The InChIKey is SHVCAXJJQJFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.CHF3O3S/c10-6-1-3-9-4-2-8-7(9)5-6;2-1(3,4)8(5,6)7/h2,4,6,10H,1,3,5H2;(H,5,6,7).
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid?
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid has a molecular weight of 304.32 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol;trifluoromethanesulfonic acid is sourced from PubChem (CID 22163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).