2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C16H12N4S2 — CID 26433850

IUPAC2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1csc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1
InChIInChI=1S/C16H12N4S2/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2
InChIKeyFCQOCRLLKBYPNX-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.15
Rot. Bonds4

About 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 26433850) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID26433850
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC Name2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1csc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1
InChIInChI=1S/C16H12N4S2/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2
InChIKeyFCQOCRLLKBYPNX-UHFFFAOYSA-N
XLogP4.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 26433850) is 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is c1csc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1.
What is the InChIKey of 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is FCQOCRLLKBYPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-2-8-20-10-12(17-15(20)5-1)11-22-16-7-6-13(18-19-16)14-4-3-9-21-14/h1-10H,11H2.
What are the key properties of 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 324.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-thiophen-2-ylpyridazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 26433850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).