7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C16H18BrNO2S — CID 123330032

IUPAC7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc(Br)c(CC2NCCc3ccsc32)cc1OC
InChIInChI=1S/C16H18BrNO2S/c1-19-14-8-11(12(17)9-15(14)20-2)7-13-16-10(3-5-18-13)4-6-21-16/h4,6,8-9,13,18H,3,5,7H2,1-2H3
InChIKeyKZOLWLBGVMVUMJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.96
Rot. Bonds4

About 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 123330032) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID123330032
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCOc1cc(Br)c(CC2NCCc3ccsc32)cc1OC
InChIInChI=1S/C16H18BrNO2S/c1-19-14-8-11(12(17)9-15(14)20-2)7-13-16-10(3-5-18-13)4-6-21-16/h4,6,8-9,13,18H,3,5,7H2,1-2H3
InChIKeyKZOLWLBGVMVUMJ-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Related Compounds

(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391976
1-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 14116524
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193
7-(2-fluoro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 19959701
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42603579
hydron;1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;chloride
CID 50986941
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471
(7S)-7-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391723
7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 165470491
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
1-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65325379

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 123330032) is 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is COc1cc(Br)c(CC2NCCc3ccsc32)cc1OC.
What is the InChIKey of 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is KZOLWLBGVMVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-19-14-8-11(12(17)9-15(14)20-2)7-13-16-10(3-5-18-13)4-6-21-16/h4,6,8-9,13,18H,3,5,7H2,1-2H3.
What are the key properties of 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 368.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 123330032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).