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

C8H8N2S — CID 18936810

IUPAC2-methyl-1H-imidazo[1,2-a]pyridine-5-thione
SMILESCc1cn2c(=S)cccc2[nH]1
InChIInChI=1S/C8H8N2S/c1-6-5-10-7(9-6)3-2-4-8(10)11/h2-5,9H,1H3
InChIKeySDKVUPMIYBLOPK-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.31
Rot. Bonds

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

2-methyl-1H-imidazo[1,2-a]pyridine-5-thione (PubChem CID 18936810) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione.

Molecular Properties

Compound Name2-methyl-1H-imidazo[1,2-a]pyridine-5-thione
PubChem CID18936810
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-methyl-1H-imidazo[1,2-a]pyridine-5-thione
SMILESCc1cn2c(=S)cccc2[nH]1
InChIInChI=1S/C8H8N2S/c1-6-5-10-7(9-6)3-2-4-8(10)11/h2-5,9H,1H3
InChIKeySDKVUPMIYBLOPK-UHFFFAOYSA-N
XLogP2.31
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.31
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-methyl-1H-imidazo[1,2-a]pyridine-5-thione?
The IUPAC name of 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione (CID 18936810) is 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione.
What is the SMILES notation for 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione?
The canonical SMILES for 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione is Cc1cn2c(=S)cccc2[nH]1.
What is the InChIKey of 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione?
The InChIKey is SDKVUPMIYBLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-6-5-10-7(9-6)3-2-4-8(10)11/h2-5,9H,1H3.
What are the key properties of 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione?
2-methyl-1H-imidazo[1,2-a]pyridine-5-thione has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazo[1,2-a]pyridine-5-thione is sourced from PubChem (CID 18936810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).