1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone

C16H14N2OS — CID 1472562

IUPAC1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1ccccc1
InChIInChI=1S/C16H14N2OS/c1-12-16(18-10-6-5-9-15(18)17-12)14(19)11-20-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyFARUBGQZBUXMEL-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone

1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone (PubChem CID 1472562) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
PubChem CID1472562
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1ccccc1
InChIInChI=1S/C16H14N2OS/c1-12-16(18-10-6-5-9-15(18)17-12)14(19)11-20-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyFARUBGQZBUXMEL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162
(5-Ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301164
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
2-Methylimidazo(1,2-a)pyridine-3-carboxaldehyde
CID 2759859
7-Methyl-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 918875
2-[(2,4-Dichlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472569

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone (CID 1472562) is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone is Cc1nc2ccccn2c1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
The InChIKey is FARUBGQZBUXMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12-16(18-10-6-5-9-15(18)17-12)14(19)11-20-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone?
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone has a molecular weight of 282.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 1472562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).