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

C17H19N3O2S — CID 121154408

IUPAC[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C17H19N3O2S/c1-22-16-14(3-2-6-18-16)17(21)20-10-13(11-20)19-7-4-15-12(9-19)5-8-23-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3
InChIKeyKCGARFYMZSZOLA-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.03
Rot. Bonds3

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

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 121154408) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID121154408
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C17H19N3O2S/c1-22-16-14(3-2-6-18-16)17(21)20-10-13(11-20)19-7-4-15-12(9-19)5-8-23-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3
InChIKeyKCGARFYMZSZOLA-UHFFFAOYSA-N
XLogP2.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 121154408) is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CC(N2CCc3sccc3C2)C1.
What is the InChIKey of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is KCGARFYMZSZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-22-16-14(3-2-6-18-16)17(21)20-10-13(11-20)19-7-4-15-12(9-19)5-8-23-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3.
What are the key properties of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.03, 3 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]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 121154408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).