[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone

C19H22N2O3S — CID 121154289

IUPAC[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-23-16-4-3-13(9-17(16)24-2)19(22)21-11-15(12-21)20-7-5-18-14(10-20)6-8-25-18/h3-4,6,8-9,15H,5,7,10-12H2,1-2H3
InChIKeyRBSCRXGAMXHZDJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.65
Rot. Bonds4

About [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 121154289) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID121154289
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-23-16-4-3-13(9-17(16)24-2)19(22)21-11-15(12-21)20-7-5-18-14(10-20)6-8-25-18/h3-4,6,8-9,15H,5,7,10-12H2,1-2H3
InChIKeyRBSCRXGAMXHZDJ-UHFFFAOYSA-N
XLogP2.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(3-chlorophenyl)-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154441
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
CID 30455552
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121154408
[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17476869
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 25371424
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]benzonitrile
CID 121154246
[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154324
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 121017192
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)azetidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121154276

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 121154289) is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)cc1OC.
What is the InChIKey of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is RBSCRXGAMXHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-23-16-4-3-13(9-17(16)24-2)19(22)21-11-15(12-21)20-7-5-18-14(10-20)6-8-25-18/h3-4,6,8-9,15H,5,7,10-12H2,1-2H3.
What are the key properties of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 358.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 121154289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).