N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide

C13H19N3O2S — CID 119384096

IUPACN-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
SMILESNCCNC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H19N3O2S/c14-5-6-15-12(17)1-2-13(18)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9,14H2,(H,15,17)
InChIKeyNOSFZRHLWLKBEN-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.49
Rot. Bonds5

About N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide

N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide (PubChem CID 119384096) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
PubChem CID119384096
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
SMILESNCCNC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H19N3O2S/c14-5-6-15-12(17)1-2-13(18)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9,14H2,(H,15,17)
InChIKeyNOSFZRHLWLKBEN-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

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Related Compounds

N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119587386
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55882256
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)butanamide
CID 55909325
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)-4-oxobutanamide
CID 55980799
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxobutanamide
CID 55873217
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-phenylethyl)butanamide;hydrochloride
CID 120886789

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The IUPAC name of N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide (CID 119384096) is N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide is NCCNC(=O)CCC(=O)N1CCc2sccc2C1.
What is the InChIKey of N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The InChIKey is NOSFZRHLWLKBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-5-6-15-12(17)1-2-13(18)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9,14H2,(H,15,17).
What are the key properties of N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide 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 N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide is sourced from PubChem (CID 119384096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).