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

C15H14BrNO2S — CID 166370524

IUPAC2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cc(O)cc(Br)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H14BrNO2S/c16-12-5-10(6-13(18)8-12)7-15(19)17-3-1-14-11(9-17)2-4-20-14/h2,4-6,8,18H,1,3,7,9H2
InChIKeyWYNGRCDSILGJLY-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.34
Rot. Bonds2

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

2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 166370524) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID166370524
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cc(O)cc(Br)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H14BrNO2S/c16-12-5-10(6-13(18)8-12)7-15(19)17-3-1-14-11(9-17)2-4-20-14/h2,4-6,8,18H,1,3,7,9H2
InChIKeyWYNGRCDSILGJLY-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4-aminophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119700080
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137025330
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 63248082
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea
CID 30455126
N-(4-bromo-2-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55876098

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 166370524) is 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(Cc1cc(O)cc(Br)c1)N1CCc2sccc2C1.
What is the InChIKey of 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is WYNGRCDSILGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-12-5-10(6-13(18)8-12)7-15(19)17-3-1-14-11(9-17)2-4-20-14/h2,4-6,8,18H,1,3,7,9H2.
What are the key properties of 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 352.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 166370524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).