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

C7H10N2S — CID 10261296

IUPAC5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol
SMILESSC1CCn2ccnc2C1
InChIInChI=1S/C7H10N2S/c10-6-1-3-9-4-2-8-7(9)5-6/h2,4,6,10H,1,3,5H2
InChIKeyXSZCQYOEDAKQTO-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.13
Rot. Bonds

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

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol (PubChem CID 10261296) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol
PubChem CID10261296
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol
SMILESSC1CCn2ccnc2C1
InChIInChI=1S/C7H10N2S/c10-6-1-3-9-4-2-8-7(9)5-6/h2,4,6,10H,1,3,5H2
InChIKeyXSZCQYOEDAKQTO-UHFFFAOYSA-N
XLogP1.13
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol (CID 10261296) is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol is SC1CCn2ccnc2C1.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol?
The InChIKey is XSZCQYOEDAKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c10-6-1-3-9-4-2-8-7(9)5-6/h2,4,6,10H,1,3,5H2.
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol?
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol has a molecular weight of 154.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol is sourced from PubChem (CID 10261296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).