3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide

C13H19N3O2S — CID 115676847

IUPAC3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
SMILESCC(CC(N)=O)NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H19N3O2S/c1-9(6-12(14)17)15-7-13(18)16-4-2-11-10(8-16)3-5-19-11/h3,5,9,15H,2,4,6-8H2,1H3,(H2,14,17)
InChIKeyWWYYBMAETNRUIC-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.49
Rot. Bonds5

About 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide

3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide (PubChem CID 115676847) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide.

Molecular Properties

Compound Name3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
PubChem CID115676847
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
SMILESCC(CC(N)=O)NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H19N3O2S/c1-9(6-12(14)17)15-7-13(18)16-4-2-11-10(8-16)3-5-19-11/h3,5,9,15H,2,4,6-8H2,1H3,(H2,14,17)
InChIKeyWWYYBMAETNRUIC-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 43473111
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone
CID 99639394
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631475
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203892
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide?
The IUPAC name of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide (CID 115676847) is 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide.
What is the SMILES notation for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide?
The canonical SMILES for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide is CC(CC(N)=O)NCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide?
The InChIKey is WWYYBMAETNRUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(6-12(14)17)15-7-13(18)16-4-2-11-10(8-16)3-5-19-11/h3,5,9,15H,2,4,6-8H2,1H3,(H2,14,17).
What are the key properties of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide?
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide has a molecular weight of 281.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide is sourced from PubChem (CID 115676847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).