(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone

C13H11ClN2O2S — CID 122247268

IUPAC(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C13H11ClN2O2S/c14-11-5-4-10(19-11)13(17)16-7-9(8-16)18-12-3-1-2-6-15-12/h1-6,9H,7-8H2
InChIKeyQKSSIISPMXLCOW-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.70
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122247268) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
PubChem CID122247268
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C13H11ClN2O2S/c14-11-5-4-10(19-11)13(17)16-7-9(8-16)18-12-3-1-2-6-15-12/h1-6,9H,7-8H2
InChIKeyQKSSIISPMXLCOW-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone (CID 122247268) is (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CC(Oc2ccccn2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is QKSSIISPMXLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-11-5-4-10(19-11)13(17)16-7-9(8-16)18-12-3-1-2-6-15-12/h1-6,9H,7-8H2.
What are the key properties of (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 294.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122247268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).