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

C19H23NO2S — CID 2739546

IUPAC1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-11-9-16-15(10-12-23-16)17(20)13-5-7-14(22-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3
InChIKeyISZOAHZSPMSAAY-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.28
Rot. Bonds2

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

1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 2739546) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
PubChem CID2739546
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-11-9-16-15(10-12-23-16)17(20)13-5-7-14(22-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3
InChIKeyISZOAHZSPMSAAY-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one (CID 2739546) is 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one is COc1ccc(C2c3ccsc3CCN2C(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ISZOAHZSPMSAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-19(2,3)18(21)20-11-9-16-15(10-12-23-16)17(20)13-5-7-14(22-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 329.47 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 2739546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).