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

C19H17FN2OS2 — CID 121017170

IUPAC[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C19H17FN2OS2/c20-14-1-2-17-13(7-14)8-18(25-17)19(23)22-10-15(11-22)21-5-3-16-12(9-21)4-6-24-16/h1-2,4,6-8,15H,3,5,9-11H2
InChIKeyRMJYBNBSSROPEY-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.98
Rot. Bonds2

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

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 121017170) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID121017170
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C19H17FN2OS2/c20-14-1-2-17-13(7-14)8-18(25-17)19(23)22-10-15(11-22)21-5-3-16-12(9-21)4-6-24-16/h1-2,4,6-8,15H,3,5,9-11H2
InChIKeyRMJYBNBSSROPEY-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154488
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121154274
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
(3-chlorophenyl)-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154441
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-fluorophenyl)azetidine-1-carboxamide
CID 121154547
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]-(3,4-dimethoxyphenyl)methanone
CID 121154289
[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
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 121154445
[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154324

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone (CID 121017170) is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2cc(F)ccc2s1)N1CC(N2CCc3sccc3C2)C1.
What is the InChIKey of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is RMJYBNBSSROPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c20-14-1-2-17-13(7-14)8-18(25-17)19(23)22-10-15(11-22)21-5-3-16-12(9-21)4-6-24-16/h1-2,4,6-8,15H,3,5,9-11H2.
What are the key properties of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 372.49 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(5-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 121017170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).