2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide

C14H12F3N3O2S — CID 23634373

IUPAC2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(Oc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)9-3-1-2-4-10(9)22-8-6-20(7-8)13-19-5-11(23-13)12(18)21/h1-5,8H,6-7H2,(H2,18,21)
InChIKeyBNJAZOLDYMWBMC-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.53
Rot. Bonds4

About 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide

2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 23634373) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID23634373
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(Oc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)9-3-1-2-4-10(9)22-8-6-20(7-8)13-19-5-11(23-13)12(18)21/h1-5,8H,6-7H2,(H2,18,21)
InChIKeyBNJAZOLDYMWBMC-UHFFFAOYSA-N
XLogP2.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide (CID 23634373) is 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CC(Oc3ccccc3C(F)(F)F)C2)s1.
What is the InChIKey of 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BNJAZOLDYMWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)9-3-1-2-4-10(9)22-8-6-20(7-8)13-19-5-11(23-13)12(18)21/h1-5,8H,6-7H2,(H2,18,21).
What are the key properties of 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).