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

C16H19NO2S — CID 3041283

IUPAC5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1cc(CN2CCc3sccc3C2)cc(OC)c1
InChIInChI=1S/C16H19NO2S/c1-18-14-7-12(8-15(9-14)19-2)10-17-5-3-16-13(11-17)4-6-20-16/h4,6-9H,3,5,10-11H2,1-2H3
InChIKeyNWSQASNTEKCPLA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.32
Rot. Bonds4

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

5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 3041283) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID3041283
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1cc(CN2CCc3sccc3C2)cc(OC)c1
InChIInChI=1S/C16H19NO2S/c1-18-14-7-12(8-15(9-14)19-2)10-17-5-3-16-13(11-17)4-6-20-16/h4,6-9H,3,5,10-11H2,1-2H3
InChIKeyNWSQASNTEKCPLA-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
CID 26031863
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 13341656
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
CID 112750992
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 29483164
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 72945001
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 3041283) is 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1cc(CN2CCc3sccc3C2)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NWSQASNTEKCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-14-7-12(8-15(9-14)19-2)10-17-5-3-16-13(11-17)4-6-20-16/h4,6-9H,3,5,10-11H2,1-2H3.
What are the key properties of 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 289.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 3041283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).