1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride

C19H23ClN2O2S — CID 121017192

IUPAC1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CC(N2CCc3sccc3C2)C1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-23-17-5-3-2-4-14(17)10-19(22)21-12-16(13-21)20-8-6-18-15(11-20)7-9-24-18;/h2-5,7,9,16H,6,8,10-13H2,1H3;1H
InChIKeyRIPUWEYVSAAZMS-UHFFFAOYSA-N
MW378.93 g/mol
LogP2.99
Rot. Bonds4

About 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride (PubChem CID 121017192) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
PubChem CID121017192
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
SMILESCOc1ccccc1CC(=O)N1CC(N2CCc3sccc3C2)C1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-23-17-5-3-2-4-14(17)10-19(22)21-12-16(13-21)20-8-6-18-15(11-20)7-9-24-18;/h2-5,7,9,16H,6,8,10-13H2,1H3;1H
InChIKeyRIPUWEYVSAAZMS-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 121154445
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]pentan-1-one;hydrochloride
CID 119099941
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121154289
N-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-oxoethyl]benzamide
CID 121154435
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121154274
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121154530
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121154408
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 121154537
3-(4-bromophenyl)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]propan-1-one
CID 121154354

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride (CID 121017192) is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride is COc1ccccc1CC(=O)N1CC(N2CCc3sccc3C2)C1.Cl.
What is the InChIKey of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride?
The InChIKey is RIPUWEYVSAAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S.ClH/c1-23-17-5-3-2-4-14(17)10-19(22)21-12-16(13-21)20-8-6-18-15(11-20)7-9-24-18;/h2-5,7,9,16H,6,8,10-13H2,1H3;1H.
What are the key properties of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride?
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 121017192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).