2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

C16H20N4OS — CID 75453544

IUPAC2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCSC1(CNc2nc3ccccn3c2C#N)CCOCC1
InChIInChI=1S/C16H20N4OS/c1-2-22-16(6-9-21-10-7-16)12-18-15-13(11-17)20-8-4-3-5-14(20)19-15/h3-5,8,18H,2,6-7,9-10,12H2,1H3
InChIKeyIUQAYLKMPHBZKU-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 75453544) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID75453544
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCSC1(CNc2nc3ccccn3c2C#N)CCOCC1
InChIInChI=1S/C16H20N4OS/c1-2-22-16(6-9-21-10-7-16)12-18-15-13(11-17)20-8-4-3-5-14(20)19-15/h3-5,8,18H,2,6-7,9-10,12H2,1H3
InChIKeyIUQAYLKMPHBZKU-UHFFFAOYSA-N
XLogP2.92
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile 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-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (CID 75453544) is 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is CCSC1(CNc2nc3ccccn3c2C#N)CCOCC1.
What is the InChIKey of 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is IUQAYLKMPHBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-2-22-16(6-9-21-10-7-16)12-18-15-13(11-17)20-8-4-3-5-14(20)19-15/h3-5,8,18H,2,6-7,9-10,12H2,1H3.
What are the key properties of 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 316.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 75453544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).