(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone

C16H14N2OS — CID 169493027

IUPAC(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
SMILESCCSc1nc2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-2-20-16-14(15(19)12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-16/h3-11H,2H2,1H3
InChIKeyKXPPUNQVENSTQD-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds4

About (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone

(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone (PubChem CID 169493027) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
PubChem CID169493027
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
SMILESCCSc1nc2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-2-20-16-14(15(19)12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-16/h3-11H,2H2,1H3
InChIKeyKXPPUNQVENSTQD-UHFFFAOYSA-N
XLogP3.68
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone?
The IUPAC name of (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone (CID 169493027) is (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone.
What is the SMILES notation for (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone?
The canonical SMILES for (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone is CCSc1nc2ccccn2c1C(=O)c1ccccc1.
What is the InChIKey of (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone?
The InChIKey is KXPPUNQVENSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-20-16-14(15(19)12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-16/h3-11H,2H2,1H3.
What are the key properties of (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone?
(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone has a molecular weight of 282.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone is sourced from PubChem (CID 169493027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).