[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

C15H15N3S — CID 63806284

IUPAC[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(Sc2nc3ccccn3c2CN)cc1
InChIInChI=1S/C15H15N3S/c1-11-5-7-12(8-6-11)19-15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10,16H2,1H3
InChIKeySOVHPVWJTKZDNO-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.25
Rot. Bonds3

About [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 63806284) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID63806284
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(Sc2nc3ccccn3c2CN)cc1
InChIInChI=1S/C15H15N3S/c1-11-5-7-12(8-6-11)19-15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10,16H2,1H3
InChIKeySOVHPVWJTKZDNO-UHFFFAOYSA-N
XLogP3.25
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (CID 63806284) is [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is Cc1ccc(Sc2nc3ccccn3c2CN)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is SOVHPVWJTKZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-5-7-12(8-6-11)19-15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10,16H2,1H3.
What are the key properties of [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 63806284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).