3H-imidazo[1,2-a]pyridine-2-thione

C7H6N2S — CID 167530405

IUPAC3H-imidazo[1,2-a]pyridine-2-thione
SMILESS=C1CN2C=CC=CC2=N1
InChIInChI=1S/C7H6N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4H,5H2
InChIKeyYWSFAKQGAVNEKS-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.11
Rot. Bonds

About 3H-imidazo[1,2-a]pyridine-2-thione

3H-imidazo[1,2-a]pyridine-2-thione (PubChem CID 167530405) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 3H-imidazo[1,2-a]pyridine-2-thione.

Molecular Properties

Compound Name3H-imidazo[1,2-a]pyridine-2-thione
PubChem CID167530405
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name3H-imidazo[1,2-a]pyridine-2-thione
SMILESS=C1CN2C=CC=CC2=N1
InChIInChI=1S/C7H6N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4H,5H2
InChIKeyYWSFAKQGAVNEKS-UHFFFAOYSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroimidazo[1,2-a]pyridine
CID 23423819
3-Sulfenylimidazo[1,2-a]pyridine
CID 129832323
silver 3-methanidylidene-2H-imidazo[1,2-a]pyridine
CID 134859819
7-Chloro-2,3-dihydroimidazo[1,2-a]pyridine
CID 20395645
3H-imidazo[1,2-a]pyridin-2-imine
CID 28812095
Pyrido[1,2-a]pyrimidine-4-thione
CID 56619255
2-methylidene-3H-imidazo[1,2-a]pyridine
CID 58182895
7-Bromo-2,3-dihydroimidazo[1,2-a]pyridine
CID 89128506
3-Bromo-2,3-dihydroimidazo[1,2-a]pyridine
CID 130393861
2H-pyrrolo[1,2-a]pyrimidine-6-thione
CID 141197078
2,3-Dihydroimidazo[1,2-a]pyridine-2-thiol
CID 143857289
2,3-Dihydroimidazo[1,2-a]pyridine;ethane
CID 145357461

Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[1,2-a]pyridine-2-thione?
The IUPAC name of 3H-imidazo[1,2-a]pyridine-2-thione (CID 167530405) is 3H-imidazo[1,2-a]pyridine-2-thione.
What is the SMILES notation for 3H-imidazo[1,2-a]pyridine-2-thione?
The canonical SMILES for 3H-imidazo[1,2-a]pyridine-2-thione is S=C1CN2C=CC=CC2=N1.
What is the InChIKey of 3H-imidazo[1,2-a]pyridine-2-thione?
The InChIKey is YWSFAKQGAVNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-7-5-9-4-2-1-3-6(9)8-7/h1-4H,5H2.
What are the key properties of 3H-imidazo[1,2-a]pyridine-2-thione?
3H-imidazo[1,2-a]pyridine-2-thione has a molecular weight of 150.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[1,2-a]pyridine-2-thione is sourced from PubChem (CID 167530405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).