imidazo[1,2-a]pyridin-5-ylmethanethiol

C8H8N2S — CID 89093379

IUPACimidazo[1,2-a]pyridin-5-ylmethanethiol
SMILESSCc1cccc2nccn12
InChIInChI=1S/C8H8N2S/c11-6-7-2-1-3-8-9-4-5-10(7)8/h1-5,11H,6H2
InChIKeyZXYMWLSELAQJAF-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.76
Rot. Bonds1

About imidazo[1,2-a]pyridin-5-ylmethanethiol

imidazo[1,2-a]pyridin-5-ylmethanethiol (PubChem CID 89093379) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-5-ylmethanethiol.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-5-ylmethanethiol
PubChem CID89093379
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Nameimidazo[1,2-a]pyridin-5-ylmethanethiol
SMILESSCc1cccc2nccn12
InChIInChI=1S/C8H8N2S/c11-6-7-2-1-3-8-9-4-5-10(7)8/h1-5,11H,6H2
InChIKeyZXYMWLSELAQJAF-UHFFFAOYSA-N
XLogP1.76
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.76
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 imidazo[1,2-a]pyridin-5-ylmethanethiol?
The IUPAC name of imidazo[1,2-a]pyridin-5-ylmethanethiol (CID 89093379) is imidazo[1,2-a]pyridin-5-ylmethanethiol.
What is the SMILES notation for imidazo[1,2-a]pyridin-5-ylmethanethiol?
The canonical SMILES for imidazo[1,2-a]pyridin-5-ylmethanethiol is SCc1cccc2nccn12.
What is the InChIKey of imidazo[1,2-a]pyridin-5-ylmethanethiol?
The InChIKey is ZXYMWLSELAQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c11-6-7-2-1-3-8-9-4-5-10(7)8/h1-5,11H,6H2.
What are the key properties of imidazo[1,2-a]pyridin-5-ylmethanethiol?
imidazo[1,2-a]pyridin-5-ylmethanethiol has a molecular weight of 164.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-5-ylmethanethiol is sourced from PubChem (CID 89093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).