(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C15H13F3N2O2S — CID 122247666

IUPAC(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C15H13F3N2O2S/c1-9-4-12(23-8-9)14(21)20-6-11(7-20)22-13-3-2-10(5-19-13)15(16,17)18/h2-5,8,11H,6-7H2,1H3
InChIKeySGQWCQMKQLVHJD-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.37
Rot. Bonds3

About (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122247666) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122247666
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C15H13F3N2O2S/c1-9-4-12(23-8-9)14(21)20-6-11(7-20)22-13-3-2-10(5-19-13)15(16,17)18/h2-5,8,11H,6-7H2,1H3
InChIKeySGQWCQMKQLVHJD-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122247666) is (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is Cc1csc(C(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is SGQWCQMKQLVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-9-4-12(23-8-9)14(21)20-6-11(7-20)22-13-3-2-10(5-19-13)15(16,17)18/h2-5,8,11H,6-7H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).