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

C15H24N2O2S — CID 62020846

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H24N2O2S/c1-12(2)16(6-3-8-18)11-15(19)17-7-4-14-13(10-17)5-9-20-14/h5,9,12,18H,3-4,6-8,10-11H2,1-2H3
InChIKeyVIUDZKUXDRTYPC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.73
Rot. Bonds6

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (PubChem CID 62020846) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
PubChem CID62020846
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H24N2O2S/c1-12(2)16(6-3-8-18)11-15(19)17-7-4-14-13(10-17)5-9-20-14/h5,9,12,18H,3-4,6-8,10-11H2,1-2H3
InChIKeyVIUDZKUXDRTYPC-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62016465
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone
CID 111107273
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
CID 115676847
methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 43473111
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (CID 62020846) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is CC(C)N(CCCO)CC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The InChIKey is VIUDZKUXDRTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)16(6-3-8-18)11-15(19)17-7-4-14-13(10-17)5-9-20-14/h5,9,12,18H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone has a molecular weight of 296.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 62020846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).