N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

C14H12F3N3O2S — CID 122251065

IUPACN-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)10-3-1-5-18-12(10)22-9-7-20(8-9)13(21)19-11-4-2-6-23-11/h1-6,9H,7-8H2,(H,19,21)
InChIKeyZUXGESVZGIECAW-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.46
Rot. Bonds3

About N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122251065) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122251065
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)10-3-1-5-18-12(10)22-9-7-20(8-9)13(21)19-11-4-2-6-23-11/h1-6,9H,7-8H2,(H,19,21)
InChIKeyZUXGESVZGIECAW-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248094
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 122251067
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
1-adamantyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250775
3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 122249306
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
CID 122250991
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250815
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768

Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122251065) is N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is ZUXGESVZGIECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)10-3-1-5-18-12(10)22-9-7-20(8-9)13(21)19-11-4-2-6-23-11/h1-6,9H,7-8H2,(H,19,21).
What are the key properties of N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122251065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).