3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide

C13H12ClN3O2S — CID 122248492

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H12ClN3O2S/c14-9-3-4-11(15-6-9)19-10-7-17(8-10)13(18)16-12-2-1-5-20-12/h1-6,10H,7-8H2,(H,16,18)
InChIKeyJTOPJPRQSQYHHY-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.09
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide

3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide (PubChem CID 122248492) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
PubChem CID122248492
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H12ClN3O2S/c14-9-3-4-11(15-6-9)19-10-7-17(8-10)13(18)16-12-2-1-5-20-12/h1-6,10H,7-8H2,(H,16,18)
InChIKeyJTOPJPRQSQYHHY-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide (CID 122248492) is 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The InChIKey is JTOPJPRQSQYHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-9-3-4-11(15-6-9)19-10-7-17(8-10)13(18)16-12-2-1-5-20-12/h1-6,10H,7-8H2,(H,16,18).
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 122248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).