1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C9H11NOS — CID 21472069

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H11NOS/c1-7(11)10-4-2-9-8(6-10)3-5-12-9/h3,5H,2,4,6H2,1H3
InChIKeyDXFQBPYXPWUJRJ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.65
Rot. Bonds

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 21472069) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID21472069
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H11NOS/c1-7(11)10-4-2-9-8(6-10)3-5-12-9/h3,5H,2,4,6H2,1H3
InChIKeyDXFQBPYXPWUJRJ-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 121446760
N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 121446771
7-Isopropyl-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548171
6-Allyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548173
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
2-chloro-N-methyl-N-((3-methylthiophen-2-yl)methyl)acetamide
CID 16226905
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
2-chloro-1-{4-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 54592463

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 21472069) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is DXFQBPYXPWUJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7(11)10-4-2-9-8(6-10)3-5-12-9/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 181.26 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 21472069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).