2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione

C9H10N2S — CID 59956271

IUPAC2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione
SMILESCc1[nH]c2cccc(=S)n2c1C
InChIInChI=1S/C9H10N2S/c1-6-7(2)11-8(10-6)4-3-5-9(11)12/h3-5,10H,1-2H3
InChIKeyWAWUYWAOOOHJIS-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.61
Rot. Bonds

About 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione

2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione (PubChem CID 59956271) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione.

Molecular Properties

Compound Name2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione
PubChem CID59956271
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione
SMILESCc1[nH]c2cccc(=S)n2c1C
InChIInChI=1S/C9H10N2S/c1-6-7(2)11-8(10-6)4-3-5-9(11)12/h3-5,10H,1-2H3
InChIKeyWAWUYWAOOOHJIS-UHFFFAOYSA-N
XLogP2.61
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
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 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione?
The IUPAC name of 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione (CID 59956271) is 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione.
What is the SMILES notation for 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione?
The canonical SMILES for 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione is Cc1[nH]c2cccc(=S)n2c1C.
What is the InChIKey of 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione?
The InChIKey is WAWUYWAOOOHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-7(2)11-8(10-6)4-3-5-9(11)12/h3-5,10H,1-2H3.
What are the key properties of 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione?
2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione has a molecular weight of 178.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-imidazo[1,2-a]pyridine-5-thione is sourced from PubChem (CID 59956271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).