1-thieno[3,2-b]pyridin-6-ylethanone

C9H7NOS — CID 12885494

IUPAC1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKeyXDOMVPLWPJTUMI-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.50
Rot. Bonds1

About 1-thieno[3,2-b]pyridin-6-ylethanone

1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 12885494) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID12885494
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKeyXDOMVPLWPJTUMI-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
CID 794365
(2,2,3,3-Ttetramethylcyclopropyl)(1-(2-(thiophen-3-yl)ethyl)-1H-indol-3-yl)methanone
CID 11610001
(2,2,3,3-Tetramethylcyclopropyl)(1-(2-(thiophen-2-yl)ethyl)-1H-indol-3-yl)methanone
CID 11688907
Thieno[3,2-C]pyridine-2-carbaldehyde
CID 20440932
N-Benzyl-6-(thiophen-2-YL)pyridine-3-carboxamide
CID 54760394
Thieno[3,2-b]pyridine-2-carbaldehyde
CID 13220435
N-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 1473373
2-Methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
CID 2121152
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
5-Ethyl-7-pyridin-2-ylthieno[2,3-d]pyridazin-4-one
CID 145962653
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanone
CID 155544229
1-(5-(Pyridin-3-yl)thiophen-2-yl)ethan-1-one
CID 15778480

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 1-thieno[3,2-b]pyridin-6-ylethanone (CID 12885494) is 1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 1-thieno[3,2-b]pyridin-6-ylethanone is CC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is XDOMVPLWPJTUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3.
What are the key properties of 1-thieno[3,2-b]pyridin-6-ylethanone?
1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 177.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 12885494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).