2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol

C15H11N5S — CID 126627171

IUPAC2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol
SMILESSc1ccc2nc(-c3ccc(-n4ccnc4)nc3)cn2c1
InChIInChI=1S/C15H11N5S/c21-12-2-4-15-18-13(9-20(15)8-12)11-1-3-14(17-7-11)19-6-5-16-10-19/h1-10,21H
InChIKeyWLJGTUKVVOWZSP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.87
Rot. Bonds2

About 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol

2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol (PubChem CID 126627171) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol.

Molecular Properties

Compound Name2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol
PubChem CID126627171
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol
SMILESSc1ccc2nc(-c3ccc(-n4ccnc4)nc3)cn2c1
InChIInChI=1S/C15H11N5S/c21-12-2-4-15-18-13(9-20(15)8-12)11-1-3-14(17-7-11)19-6-5-16-10-19/h1-10,21H
InChIKeyWLJGTUKVVOWZSP-UHFFFAOYSA-N
XLogP2.87
TPSA48.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol?
The IUPAC name of 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol (CID 126627171) is 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol.
What is the SMILES notation for 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol?
The canonical SMILES for 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol is Sc1ccc2nc(-c3ccc(-n4ccnc4)nc3)cn2c1.
What is the InChIKey of 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol?
The InChIKey is WLJGTUKVVOWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c21-12-2-4-15-18-13(9-20(15)8-12)11-1-3-14(17-7-11)19-6-5-16-10-19/h1-10,21H.
What are the key properties of 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol?
2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol has a molecular weight of 293.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-6-thiol is sourced from PubChem (CID 126627171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).