1-thieno[3,2-c]pyridin-4-ylethanone

C9H7NOS — CID 130047659

IUPAC1-thieno[3,2-c]pyridin-4-ylethanone
SMILESCC(=O)c1nccc2sccc12
InChIInChI=1S/C9H7NOS/c1-6(11)9-7-3-5-12-8(7)2-4-10-9/h2-5H,1H3
InChIKeyWQNWPRHKCWUPRJ-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.50
Rot. Bonds1

About 1-thieno[3,2-c]pyridin-4-ylethanone

1-thieno[3,2-c]pyridin-4-ylethanone (PubChem CID 130047659) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-thieno[3,2-c]pyridin-4-ylethanone.

Molecular Properties

Compound Name1-thieno[3,2-c]pyridin-4-ylethanone
PubChem CID130047659
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1-thieno[3,2-c]pyridin-4-ylethanone
SMILESCC(=O)c1nccc2sccc12
InChIInChI=1S/C9H7NOS/c1-6(11)9-7-3-5-12-8(7)2-4-10-9/h2-5H,1H3
InChIKeyWQNWPRHKCWUPRJ-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

4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
CID 135337046
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726
N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
CID 66113928
1-(1,6-naphthyridin-5-yl)ethanone
CID 130047665
4-(1-bromoethyl)thieno[3,2-c]pyridine
CID 70376593
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
CID 43522697
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 178134364
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
thieno[3,2-c]pyridin-4-ylmethanamine
CID 82414810

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-c]pyridin-4-ylethanone?
The IUPAC name of 1-thieno[3,2-c]pyridin-4-ylethanone (CID 130047659) is 1-thieno[3,2-c]pyridin-4-ylethanone.
What is the SMILES notation for 1-thieno[3,2-c]pyridin-4-ylethanone?
The canonical SMILES for 1-thieno[3,2-c]pyridin-4-ylethanone is CC(=O)c1nccc2sccc12.
What is the InChIKey of 1-thieno[3,2-c]pyridin-4-ylethanone?
The InChIKey is WQNWPRHKCWUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-6(11)9-7-3-5-12-8(7)2-4-10-9/h2-5H,1H3.
What are the key properties of 1-thieno[3,2-c]pyridin-4-ylethanone?
1-thieno[3,2-c]pyridin-4-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-c]pyridin-4-ylethanone is sourced from PubChem (CID 130047659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).