5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H18BrNOS — CID 65326163

IUPAC5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(Br)c(CN2CCc3sccc3C2C)c1
InChIInChI=1S/C16H18BrNOS/c1-11-14-6-8-20-16(14)5-7-18(11)10-12-9-13(19-2)3-4-15(12)17/h3-4,6,8-9,11H,5,7,10H2,1-2H3
InChIKeyYVPWACUKWUWZCK-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.64
Rot. Bonds3

About 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 65326163) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID65326163
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(Br)c(CN2CCc3sccc3C2C)c1
InChIInChI=1S/C16H18BrNOS/c1-11-14-6-8-20-16(14)5-7-18(11)10-12-9-13(19-2)3-4-15(12)17/h3-4,6,8-9,11H,5,7,10H2,1-2H3
InChIKeyYVPWACUKWUWZCK-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
4-[2,5-dimethoxy-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]morpholine;hydrochloride
CID 171671781
1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
CID 65323068
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500181
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
CID 42919233
1-(4-methoxyphenyl)-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]tetrazole-5-thione
CID 9321093
3-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarbothioamide
CID 114481875
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 65326163) is 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1ccc(Br)c(CN2CCc3sccc3C2C)c1.
What is the InChIKey of 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is YVPWACUKWUWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-11-14-6-8-20-16(14)5-7-18(11)10-12-9-13(19-2)3-4-15(12)17/h3-4,6,8-9,11H,5,7,10H2,1-2H3.
What are the key properties of 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 352.30 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 65326163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).