1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone

C15H11NOS — CID 118708376

IUPAC1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C15H11NOS/c1-10(17)14-13(11-6-3-2-4-7-11)12-8-5-9-16-15(12)18-14/h2-9H,1H3
InChIKeyNHXYTMBHYAYFLR-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.17
Rot. Bonds2

About 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone

1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 118708376) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone
PubChem CID118708376
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCC(=O)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C15H11NOS/c1-10(17)14-13(11-6-3-2-4-7-11)12-8-5-9-16-15(12)18-14/h2-9H,1H3
InChIKeyNHXYTMBHYAYFLR-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thieno(2,3-b)pyridine-2-carbaldehyde
CID 289925
2-(Pyridin-2-ylsulfanyl)-1-p-tolyl-ethanone
CID 650306
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
CID 722715
[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
CID 794365
Phenyl-(4-p-tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanone
CID 9841875
4-(Pyridin-2-ylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9882382
1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-ethanone
CID 9904395
6,6-Dimethyl-3-methylsulfanyl-1-pyridin-2-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 10990326
6,6-Dimethyl-3-methylsulfanyl-1-pyridin-3-yl-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11001176
5-Cyclohexyl-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117979
13-(Dimethylamino)-5-(4-methylphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118120
13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118122

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The IUPAC name of 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone (CID 118708376) is 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone is CC(=O)c1sc2ncccc2c1-c1ccccc1.
What is the InChIKey of 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
The InChIKey is NHXYTMBHYAYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10(17)14-13(11-6-3-2-4-7-11)12-8-5-9-16-15(12)18-14/h2-9H,1H3.
What are the key properties of 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone?
1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 253.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 118708376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).